N-benzyl-3-[(4-carbamoylpiperidin-1-yl)methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide

C23H27N5O2 — CID 56715082

IUPACN-benzyl-3-[(4-carbamoylpiperidin-1-yl)methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1nc2ccccn2c1CN1CCC(C(N)=O)CC1
InChIInChI=1S/C23H27N5O2/c1-26(15-17-7-3-2-4-8-17)23(30)21-19(28-12-6-5-9-20(28)25-21)16-27-13-10-18(11-14-27)22(24)29/h2-9,12,18H,10-11,13-16H2,1H3,(H2,24,29)
InChIKeyZQVCPDHUAZTYKX-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.30
Rot. Bonds6

About N-benzyl-3-[(4-carbamoylpiperidin-1-yl)methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide

N-benzyl-3-[(4-carbamoylpiperidin-1-yl)methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 56715082) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-benzyl-3-[(4-carbamoylpiperidin-1-yl)methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-[(4-carbamoylpiperidin-1-yl)methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID56715082
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC NameN-benzyl-3-[(4-carbamoylpiperidin-1-yl)methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1nc2ccccn2c1CN1CCC(C(N)=O)CC1
InChIInChI=1S/C23H27N5O2/c1-26(15-17-7-3-2-4-8-17)23(30)21-19(28-12-6-5-9-20(28)25-21)16-27-13-10-18(11-14-27)22(24)29/h2-9,12,18H,10-11,13-16H2,1H3,(H2,24,29)
InChIKeyZQVCPDHUAZTYKX-UHFFFAOYSA-N
XLogP2.30
TPSA83.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 56862917
N-benzyl-3-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 25286717
N-benzyl-3-[[[(2S)-2-hydroxypropyl]-methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 95553938
3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 39121604
N-benzyl-N-methyl-5-[(3R)-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 124955098
N-benzyl-N-methyl-3-[[[(1R)-1-phenylethyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 42513074
3-[(dimethylamino)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 39121627
1-[2-(N-benzylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 24565100
methyl 1-[[8-methyl-2-[methyl(2-phenylethyl)carbamoyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate
CID 25287404
3-[(2-ethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 82029007
N-benzyl-N-methyl-3-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 26394218
1-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid
CID 2759661

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(4-carbamoylpiperidin-1-yl)methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-benzyl-3-[(4-carbamoylpiperidin-1-yl)methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide (CID 56715082) is N-benzyl-3-[(4-carbamoylpiperidin-1-yl)methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-3-[(4-carbamoylpiperidin-1-yl)methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-3-[(4-carbamoylpiperidin-1-yl)methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide is CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1CN1CCC(C(N)=O)CC1.
What is the InChIKey of N-benzyl-3-[(4-carbamoylpiperidin-1-yl)methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is ZQVCPDHUAZTYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-26(15-17-7-3-2-4-8-17)23(30)21-19(28-12-6-5-9-20(28)25-21)16-27-13-10-18(11-14-27)22(24)29/h2-9,12,18H,10-11,13-16H2,1H3,(H2,24,29).
What are the key properties of N-benzyl-3-[(4-carbamoylpiperidin-1-yl)methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide?
N-benzyl-3-[(4-carbamoylpiperidin-1-yl)methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(4-carbamoylpiperidin-1-yl)methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 56715082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).