2-[4-[[(5-methyl-1H-imidazole-4-carbonyl)amino]methyl]piperidin-1-yl]pyridine-3-carboxamide

C17H22N6O2 — CID 131923672

IUPAC2-[4-[[(5-methyl-1H-imidazole-4-carbonyl)amino]methyl]piperidin-1-yl]pyridine-3-carboxamide
SMILESCc1[nH]cnc1C(=O)NCC1CCN(c2ncccc2C(N)=O)CC1
InChIInChI=1S/C17H22N6O2/c1-11-14(22-10-21-11)17(25)20-9-12-4-7-23(8-5-12)16-13(15(18)24)3-2-6-19-16/h2-3,6,10,12H,4-5,7-9H2,1H3,(H2,18,24)(H,20,25)(H,21,22)
InChIKeyZWTRFFTUOMAWPA-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.86
Rot. Bonds5

About 2-[4-[[(5-methyl-1H-imidazole-4-carbonyl)amino]methyl]piperidin-1-yl]pyridine-3-carboxamide

2-[4-[[(5-methyl-1H-imidazole-4-carbonyl)amino]methyl]piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 131923672) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[4-[[(5-methyl-1H-imidazole-4-carbonyl)amino]methyl]piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-[[(5-methyl-1H-imidazole-4-carbonyl)amino]methyl]piperidin-1-yl]pyridine-3-carboxamide
PubChem CID131923672
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name2-[4-[[(5-methyl-1H-imidazole-4-carbonyl)amino]methyl]piperidin-1-yl]pyridine-3-carboxamide
SMILESCc1[nH]cnc1C(=O)NCC1CCN(c2ncccc2C(N)=O)CC1
InChIInChI=1S/C17H22N6O2/c1-11-14(22-10-21-11)17(25)20-9-12-4-7-23(8-5-12)16-13(15(18)24)3-2-6-19-16/h2-3,6,10,12H,4-5,7-9H2,1H3,(H2,18,24)(H,20,25)(H,21,22)
InChIKeyZWTRFFTUOMAWPA-UHFFFAOYSA-N
XLogP0.86
TPSA117.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(5-methyl-1H-imidazole-4-carbonyl)amino]methyl]piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 2-[4-[[(5-methyl-1H-imidazole-4-carbonyl)amino]methyl]piperidin-1-yl]pyridine-3-carboxamide (CID 131923672) is 2-[4-[[(5-methyl-1H-imidazole-4-carbonyl)amino]methyl]piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-[[(5-methyl-1H-imidazole-4-carbonyl)amino]methyl]piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-[4-[[(5-methyl-1H-imidazole-4-carbonyl)amino]methyl]piperidin-1-yl]pyridine-3-carboxamide is Cc1[nH]cnc1C(=O)NCC1CCN(c2ncccc2C(N)=O)CC1.
What is the InChIKey of 2-[4-[[(5-methyl-1H-imidazole-4-carbonyl)amino]methyl]piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is ZWTRFFTUOMAWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-11-14(22-10-21-11)17(25)20-9-12-4-7-23(8-5-12)16-13(15(18)24)3-2-6-19-16/h2-3,6,10,12H,4-5,7-9H2,1H3,(H2,18,24)(H,20,25)(H,21,22).
What are the key properties of 2-[4-[[(5-methyl-1H-imidazole-4-carbonyl)amino]methyl]piperidin-1-yl]pyridine-3-carboxamide?
2-[4-[[(5-methyl-1H-imidazole-4-carbonyl)amino]methyl]piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 0.86, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(5-methyl-1H-imidazole-4-carbonyl)amino]methyl]piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 131923672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).