2,4-dimethylpyridine;methane;N-methylmethanamine;2-methyl-1-morpholin-4-ylpropan-1-one;N-methylpropan-2-amine;2-methyl-5-propan-2-yl-5H-chromeno[2,3-b]pyridine;4-methylpyridine;1,2,4-trimethylbenzene

C57H98N6O3 — CID 160669044

IUPAC2,4-dimethylpyridine;methane;N-methylmethanamine;2-methyl-1-morpholin-4-ylpropan-1-one;N-methylpropan-2-amine;2-methyl-5-propan-2-yl-5H-chromeno[2,3-b]pyridine;4-methylpyridine;1,2,4-trimethylbenzene
SMILESC.C.C.C.C.CC(C)C(=O)N1CCOCC1.CNC.CNC(C)C.Cc1ccc(C)c(C)c1.Cc1ccc2c(n1)Oc1ccccc1C2C(C)C.Cc1ccnc(C)c1.Cc1ccncc1
InChIInChI=1S/C16H17NO.C9H12.C8H15NO2.C7H9N.C6H7N.C4H11N.C2H7N.5CH4/c1-10(2)15-12-6-4-5-7-14(12)18-16-13(15)9-8-11(3)17-16;1-7-4-5-8(2)9(3)6-7;1-7(2)8(10)9-3-5-11-6-4-9;1-6-3-4-8-7(2)5-6;1-6-2-4-7-5-3-6;1-4(2)5-3;1-3-2;;;;;/h4-10,15H,1-3H3;4-6H,1-3H3;7H,3-6H2,1-2H3;3-5H,1-2H3;2-5H,1H3;4-5H,1-3H3;3H,1-2H3;5*1H4
InChIKeyRMRMDMLXBBRSMH-UHFFFAOYSA-N
MW915.45 g/mol
LogP14.12
Rot. Bonds3

About 2,4-dimethylpyridine;methane;N-methylmethanamine;2-methyl-1-morpholin-4-ylpropan-1-one;N-methylpropan-2-amine;2-methyl-5-propan-2-yl-5H-chromeno[2,3-b]pyridine;4-methylpyridine;1,2,4-trimethylbenzene

2,4-dimethylpyridine;methane;N-methylmethanamine;2-methyl-1-morpholin-4-ylpropan-1-one;N-methylpropan-2-amine;2-methyl-5-propan-2-yl-5H-chromeno[2,3-b]pyridine;4-methylpyridine;1,2,4-trimethylbenzene (PubChem CID 160669044) has the molecular formula C57H98N6O3 and a molecular weight of 915.45 g/mol. Its IUPAC name is 2,4-dimethylpyridine;methane;N-methylmethanamine;2-methyl-1-morpholin-4-ylpropan-1-one;N-methylpropan-2-amine;2-methyl-5-propan-2-yl-5H-chromeno[2,3-b]pyridine;4-methylpyridine;1,2,4-trimethylbenzene.

Molecular Properties

Compound Name2,4-dimethylpyridine;methane;N-methylmethanamine;2-methyl-1-morpholin-4-ylpropan-1-one;N-methylpropan-2-amine;2-methyl-5-propan-2-yl-5H-chromeno[2,3-b]pyridine;4-methylpyridine;1,2,4-trimethylbenzene
PubChem CID160669044
Molecular FormulaC57H98N6O3
Molecular Weight915.45 g/mol
Exact Mass914.77
IUPAC Name2,4-dimethylpyridine;methane;N-methylmethanamine;2-methyl-1-morpholin-4-ylpropan-1-one;N-methylpropan-2-amine;2-methyl-5-propan-2-yl-5H-chromeno[2,3-b]pyridine;4-methylpyridine;1,2,4-trimethylbenzene
SMILESC.C.C.C.C.CC(C)C(=O)N1CCOCC1.CNC.CNC(C)C.Cc1ccc(C)c(C)c1.Cc1ccc2c(n1)Oc1ccccc1C2C(C)C.Cc1ccnc(C)c1.Cc1ccncc1
InChIInChI=1S/C16H17NO.C9H12.C8H15NO2.C7H9N.C6H7N.C4H11N.C2H7N.5CH4/c1-10(2)15-12-6-4-5-7-14(12)18-16-13(15)9-8-11(3)17-16;1-7-4-5-8(2)9(3)6-7;1-7(2)8(10)9-3-5-11-6-4-9;1-6-3-4-8-7(2)5-6;1-6-2-4-7-5-3-6;1-4(2)5-3;1-3-2;;;;;/h4-10,15H,1-3H3;4-6H,1-3H3;7H,3-6H2,1-2H3;3-5H,1-2H3;2-5H,1H3;4-5H,1-3H3;3H,1-2H3;5*1H4
InChIKeyRMRMDMLXBBRSMH-UHFFFAOYSA-N
XLogP14.12
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500915.45
LogP ≤ 514.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2,4-dimethylpyridine;methane;N-methylmethanamine;2-methyl-1-morpholin-4-ylpropan-1-one;N-methylpropan-2-amine;2-methyl-5-propan-2-yl-5H-chromeno[2,3-b]pyridine;4-methylpyridine;1,2,4-trimethylbenzene with MolForge

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Launch Full Analysis

Related Compounds

6-{5-[(2S)-2-amino-3-(quinolin-3-yl)propoxy]pyridin-3-yl}isoquinoline
CID 23647000
N-[(4-methylphenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
CID 49791408
N-[(6-methoxy-3-pyridinyl)-(2-methylphenyl)methyl]-1-[(4-phenoxyphenyl)methyl]piperidine-4-carboxamide
CID 49792513
N-[(4-methoxyphenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
CID 49790321
N-[1-(6-methoxy-2-pyridinyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide
CID 117804693
N-[(6-methoxy-3-pyridinyl)-(2-methylphenyl)methyl]-1-(2-naphthalen-2-yloxyethyl)piperidine-4-carboxamide
CID 172434957
1-[4-[[4-[4-[3-[5-[[(1-Acetylpiperidin-4-yl)amino]methyl]-6-methoxy-2-pyridinyl]-2-fluorophenyl]-3-fluoro-2-pyridinyl]-2-methoxyphenyl]methylamino]piperidin-1-yl]ethanone
CID 170696213
1-[2-(4-fluorophenoxy)ethyl]-N-[(6-methoxy-3-pyridinyl)-(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 132467267
2,6-dimethyl-N-[(3S)-3-[4-[(R)-(6-methylpyridin-2-yl)oxy-[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]butyl]-4-pyridin-4-ylbenzamide
CID 11181187
2,6-Dimethyl-N-(3-{4-[(6-methyl-pyridin-2-yloxy)-(4-trifluoromethyl-phenyl)-methyl]-piperidin-1-yl}-butyl)-4-pyridin-4-yl-benzamide
CID 11215803
2,6-dimethyl-N-[3-[4-[(R)-(6-methyl-2-pyridinyl)oxy-[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]butyl]-4-pyridin-4-ylbenzamide
CID 11331101
2-(4-isoquinolin-4-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl]acetamide
CID 42610201

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpyridine;methane;N-methylmethanamine;2-methyl-1-morpholin-4-ylpropan-1-one;N-methylpropan-2-amine;2-methyl-5-propan-2-yl-5H-chromeno[2,3-b]pyridine;4-methylpyridine;1,2,4-trimethylbenzene?
The IUPAC name of 2,4-dimethylpyridine;methane;N-methylmethanamine;2-methyl-1-morpholin-4-ylpropan-1-one;N-methylpropan-2-amine;2-methyl-5-propan-2-yl-5H-chromeno[2,3-b]pyridine;4-methylpyridine;1,2,4-trimethylbenzene (CID 160669044) is 2,4-dimethylpyridine;methane;N-methylmethanamine;2-methyl-1-morpholin-4-ylpropan-1-one;N-methylpropan-2-amine;2-methyl-5-propan-2-yl-5H-chromeno[2,3-b]pyridine;4-methylpyridine;1,2,4-trimethylbenzene.
What is the SMILES notation for 2,4-dimethylpyridine;methane;N-methylmethanamine;2-methyl-1-morpholin-4-ylpropan-1-one;N-methylpropan-2-amine;2-methyl-5-propan-2-yl-5H-chromeno[2,3-b]pyridine;4-methylpyridine;1,2,4-trimethylbenzene?
The canonical SMILES for 2,4-dimethylpyridine;methane;N-methylmethanamine;2-methyl-1-morpholin-4-ylpropan-1-one;N-methylpropan-2-amine;2-methyl-5-propan-2-yl-5H-chromeno[2,3-b]pyridine;4-methylpyridine;1,2,4-trimethylbenzene is C.C.C.C.C.CC(C)C(=O)N1CCOCC1.CNC.CNC(C)C.Cc1ccc(C)c(C)c1.Cc1ccc2c(n1)Oc1ccccc1C2C(C)C.Cc1ccnc(C)c1.Cc1ccncc1.
What is the InChIKey of 2,4-dimethylpyridine;methane;N-methylmethanamine;2-methyl-1-morpholin-4-ylpropan-1-one;N-methylpropan-2-amine;2-methyl-5-propan-2-yl-5H-chromeno[2,3-b]pyridine;4-methylpyridine;1,2,4-trimethylbenzene?
The InChIKey is RMRMDMLXBBRSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO.C9H12.C8H15NO2.C7H9N.C6H7N.C4H11N.C2H7N.5CH4/c1-10(2)15-12-6-4-5-7-14(12)18-16-13(15)9-8-11(3)17-16;1-7-4-5-8(2)9(3)6-7;1-7(2)8(10)9-3-5-11-6-4-9;1-6-3-4-8-7(2)5-6;1-6-2-4-7-5-3-6;1-4(2)5-3;1-3-2;;;;;/h4-10,15H,1-3H3;4-6H,1-3H3;7H,3-6H2,1-2H3;3-5H,1-2H3;2-5H,1H3;4-5H,1-3H3;3H,1-2H3;5*1H4.
What are the key properties of 2,4-dimethylpyridine;methane;N-methylmethanamine;2-methyl-1-morpholin-4-ylpropan-1-one;N-methylpropan-2-amine;2-methyl-5-propan-2-yl-5H-chromeno[2,3-b]pyridine;4-methylpyridine;1,2,4-trimethylbenzene?
2,4-dimethylpyridine;methane;N-methylmethanamine;2-methyl-1-morpholin-4-ylpropan-1-one;N-methylpropan-2-amine;2-methyl-5-propan-2-yl-5H-chromeno[2,3-b]pyridine;4-methylpyridine;1,2,4-trimethylbenzene has a molecular weight of 915.45 g/mol, XLogP of 14.12, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpyridine;methane;N-methylmethanamine;2-methyl-1-morpholin-4-ylpropan-1-one;N-methylpropan-2-amine;2-methyl-5-propan-2-yl-5H-chromeno[2,3-b]pyridine;4-methylpyridine;1,2,4-trimethylbenzene is sourced from PubChem (CID 160669044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).