N-[2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]morpholine-4-carboxamide

C22H29N3O2 — CID 141114956

IUPACN-[2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]morpholine-4-carboxamide
SMILESCc1ccc(-c2cc(CC(C)C)nc(C)c2NC(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H29N3O2/c1-15(2)13-19-14-20(18-7-5-16(3)6-8-18)21(17(4)23-19)24-22(26)25-9-11-27-12-10-25/h5-8,14-15H,9-13H2,1-4H3,(H,24,26)
InChIKeyYUHHJCQZELZCBP-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.43
Rot. Bonds4

About N-[2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]morpholine-4-carboxamide

N-[2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]morpholine-4-carboxamide (PubChem CID 141114956) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]morpholine-4-carboxamide
PubChem CID141114956
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]morpholine-4-carboxamide
SMILESCc1ccc(-c2cc(CC(C)C)nc(C)c2NC(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H29N3O2/c1-15(2)13-19-14-20(18-7-5-16(3)6-8-18)21(17(4)23-19)24-22(26)25-9-11-27-12-10-25/h5-8,14-15H,9-13H2,1-4H3,(H,24,26)
InChIKeyYUHHJCQZELZCBP-UHFFFAOYSA-N
XLogP4.43
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide
CID 3389877
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]morpholine-4-carboxamide
CID 3261830
N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]morpholine-4-carboxamide
CID 110317363
2-[4-[[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]carbamoyl]-2-oxopiperazin-1-yl]acetic acid;dihydrochloride
CID 69445192
N-(3-methyl-1,2-oxazol-5-yl)morpholine-4-carboxamide
CID 115603435
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-4-carboxamide
CID 6485256
N-(2,6-dibromo-4-propan-2-ylphenyl)morpholine-4-carboxamide
CID 3810125
N-(2-propan-2-ylpyrazol-3-yl)morpholine-4-carboxamide
CID 47198657
N-(2-methyl-1,3-dioxoisoindol-5-yl)morpholine-4-carboxamide
CID 24664341
[2-(2,5-dimethylphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-morpholin-4-ylmethanone
CID 50961022
2-(aminomethyl)-3-(5-methyl-2-pyridinyl)-1-morpholin-4-ylpropan-1-one
CID 81312958
N-[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]-4-phenylpiperidine-1-carboxamide;dihydrochloride
CID 174497947

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]morpholine-4-carboxamide?
The IUPAC name of N-[2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]morpholine-4-carboxamide (CID 141114956) is N-[2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]morpholine-4-carboxamide?
The canonical SMILES for N-[2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]morpholine-4-carboxamide is Cc1ccc(-c2cc(CC(C)C)nc(C)c2NC(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]morpholine-4-carboxamide?
The InChIKey is YUHHJCQZELZCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-15(2)13-19-14-20(18-7-5-16(3)6-8-18)21(17(4)23-19)24-22(26)25-9-11-27-12-10-25/h5-8,14-15H,9-13H2,1-4H3,(H,24,26).
What are the key properties of N-[2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]morpholine-4-carboxamide?
N-[2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]morpholine-4-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]morpholine-4-carboxamide is sourced from PubChem (CID 141114956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).