N-[(1-methylimidazol-2-yl)methyl]-6-[(3S)-piperidin-3-yl]pyridine-2-carboxamide

C16H21N5O — CID 95825901

IUPACN-[(1-methylimidazol-2-yl)methyl]-6-[(3S)-piperidin-3-yl]pyridine-2-carboxamide
SMILESCn1ccnc1CNC(=O)c1cccc([C@H]2CCCNC2)n1
InChIInChI=1S/C16H21N5O/c1-21-9-8-18-15(21)11-19-16(22)14-6-2-5-13(20-14)12-4-3-7-17-10-12/h2,5-6,8-9,12,17H,3-4,7,10-11H2,1H3,(H,19,22)/t12-/m0/s1
InChIKeyKCVWOKVMDIYQMN-LBPRGKRZSA-N
MW299.38 g/mol
LogP1.21
Rot. Bonds4

About N-[(1-methylimidazol-2-yl)methyl]-6-[(3S)-piperidin-3-yl]pyridine-2-carboxamide

N-[(1-methylimidazol-2-yl)methyl]-6-[(3S)-piperidin-3-yl]pyridine-2-carboxamide (PubChem CID 95825901) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-6-[(3S)-piperidin-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-6-[(3S)-piperidin-3-yl]pyridine-2-carboxamide
PubChem CID95825901
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-6-[(3S)-piperidin-3-yl]pyridine-2-carboxamide
SMILESCn1ccnc1CNC(=O)c1cccc([C@H]2CCCNC2)n1
InChIInChI=1S/C16H21N5O/c1-21-9-8-18-15(21)11-19-16(22)14-6-2-5-13(20-14)12-4-3-7-17-10-12/h2,5-6,8-9,12,17H,3-4,7,10-11H2,1H3,(H,19,22)/t12-/m0/s1
InChIKeyKCVWOKVMDIYQMN-LBPRGKRZSA-N
XLogP1.21
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-6-[(3S)-piperidin-3-yl]pyridine-2-carboxamide
CID 95825774
1-(azetidin-3-yl)-N-[(1-methylimidazol-2-yl)methyl]triazole-4-carboxamide
CID 79316306
(2S)-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide
CID 63293809
3-[5-[(1-methylimidazol-2-yl)methyl]-1H-1,2,4-triazol-3-yl]piperidine
CID 82568432
2-(1-methylimidazol-2-yl)-1-piperidin-3-ylethanone
CID 116548056
N-[(1-methylimidazol-2-yl)methyl]naphthalene-1-carboxamide
CID 110440177
6-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 95825804
N-[(1-methylimidazol-2-yl)methyl]-2-(propan-2-ylamino)benzamide
CID 63293605
N-[(1-methylimidazol-2-yl)methyl]piperidine-2-carboxamide
CID 63293631
4-piperidin-3-yl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 110257631
2,3-difluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 55168082
2-hydroxy-3-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 63237643

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-6-[(3S)-piperidin-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-6-[(3S)-piperidin-3-yl]pyridine-2-carboxamide (CID 95825901) is N-[(1-methylimidazol-2-yl)methyl]-6-[(3S)-piperidin-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-6-[(3S)-piperidin-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-6-[(3S)-piperidin-3-yl]pyridine-2-carboxamide is Cn1ccnc1CNC(=O)c1cccc([C@H]2CCCNC2)n1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-6-[(3S)-piperidin-3-yl]pyridine-2-carboxamide?
The InChIKey is KCVWOKVMDIYQMN-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21N5O/c1-21-9-8-18-15(21)11-19-16(22)14-6-2-5-13(20-14)12-4-3-7-17-10-12/h2,5-6,8-9,12,17H,3-4,7,10-11H2,1H3,(H,19,22)/t12-/m0/s1.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-6-[(3S)-piperidin-3-yl]pyridine-2-carboxamide?
N-[(1-methylimidazol-2-yl)methyl]-6-[(3S)-piperidin-3-yl]pyridine-2-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-6-[(3S)-piperidin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 95825901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).