N-methyl-2-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-3-carboxamide

C20H22N4O2 — CID 166233118

IUPACN-methyl-2-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1N1CCC(c2nc3cccc(C)c3o2)CC1
InChIInChI=1S/C20H22N4O2/c1-13-5-3-7-16-17(13)26-20(23-16)14-8-11-24(12-9-14)18-15(19(25)21-2)6-4-10-22-18/h3-7,10,14H,8-9,11-12H2,1-2H3,(H,21,25)
InChIKeyVYVFUTQETVHQAD-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.27
Rot. Bonds3

About N-methyl-2-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-3-carboxamide

N-methyl-2-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 166233118) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-methyl-2-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-3-carboxamide
PubChem CID166233118
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-methyl-2-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1N1CCC(c2nc3cccc(C)c3o2)CC1
InChIInChI=1S/C20H22N4O2/c1-13-5-3-7-16-17(13)26-20(23-16)14-8-11-24(12-9-14)18-15(19(25)21-2)6-4-10-22-18/h3-7,10,14H,8-9,11-12H2,1-2H3,(H,21,25)
InChIKeyVYVFUTQETVHQAD-UHFFFAOYSA-N
XLogP3.27
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(4-pyridin-4-ylpiperidin-1-yl)pyridine-3-carboxamide
CID 155950461
N-methyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 155946909
N-methyl-2-[3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 135095238
2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide
CID 155948642
3-(7-methyl-1,3-benzoxazol-2-yl)cyclopentane-1-carboxylic acid
CID 103551979
N-methyl-2-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide
CID 155948675
2-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-methylpyridine-3-carboxamide
CID 56901128
[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]methanone
CID 99788818
2-(2,3-dimethylpyrrolidin-1-yl)-N-methylpyridine-3-carboxamide
CID 133357626
2-[3-(1-hydroxyethyl)piperidin-1-yl]-N-methylpyridine-3-carboxamide
CID 133397673
2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide
CID 133320439
N-methyl-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]pyridine-3-carboxamide
CID 133316798

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-methyl-2-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-3-carboxamide (CID 166233118) is N-methyl-2-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-2-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-2-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-3-carboxamide is CNC(=O)c1cccnc1N1CCC(c2nc3cccc(C)c3o2)CC1.
What is the InChIKey of N-methyl-2-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is VYVFUTQETVHQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-13-5-3-7-16-17(13)26-20(23-16)14-8-11-24(12-9-14)18-15(19(25)21-2)6-4-10-22-18/h3-7,10,14H,8-9,11-12H2,1-2H3,(H,21,25).
What are the key properties of N-methyl-2-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-3-carboxamide?
N-methyl-2-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 166233118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).