1-(4-chloro-2-cyanophenyl)-4-methyl-N-(8-methylimidazo[1,2-a]pyridin-6-yl)piperidine-4-carboxamide

C22H22ClN5O — CID 155947783

IUPAC1-(4-chloro-2-cyanophenyl)-4-methyl-N-(8-methylimidazo[1,2-a]pyridin-6-yl)piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)cn2ccnc12
InChIInChI=1S/C22H22ClN5O/c1-15-11-18(14-28-10-7-25-20(15)28)26-21(29)22(2)5-8-27(9-6-22)19-4-3-17(23)12-16(19)13-24/h3-4,7,10-12,14H,5-6,8-9H2,1-2H3,(H,26,29)
InChIKeyMXTDSTSDDQWPPG-UHFFFAOYSA-N
MW407.91 g/mol
LogP4.41
Rot. Bonds3

About 1-(4-chloro-2-cyanophenyl)-4-methyl-N-(8-methylimidazo[1,2-a]pyridin-6-yl)piperidine-4-carboxamide

1-(4-chloro-2-cyanophenyl)-4-methyl-N-(8-methylimidazo[1,2-a]pyridin-6-yl)piperidine-4-carboxamide (PubChem CID 155947783) has the molecular formula C22H22ClN5O and a molecular weight of 407.91 g/mol. Its IUPAC name is 1-(4-chloro-2-cyanophenyl)-4-methyl-N-(8-methylimidazo[1,2-a]pyridin-6-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-2-cyanophenyl)-4-methyl-N-(8-methylimidazo[1,2-a]pyridin-6-yl)piperidine-4-carboxamide
PubChem CID155947783
Molecular FormulaC22H22ClN5O
Molecular Weight407.91 g/mol
Exact Mass407.15
IUPAC Name1-(4-chloro-2-cyanophenyl)-4-methyl-N-(8-methylimidazo[1,2-a]pyridin-6-yl)piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)cn2ccnc12
InChIInChI=1S/C22H22ClN5O/c1-15-11-18(14-28-10-7-25-20(15)28)26-21(29)22(2)5-8-27(9-6-22)19-4-3-17(23)12-16(19)13-24/h3-4,7,10-12,14H,5-6,8-9H2,1-2H3,(H,26,29)
InChIKeyMXTDSTSDDQWPPG-UHFFFAOYSA-N
XLogP4.41
TPSA73.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.91
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chloro-2-cyanophenyl)-4-methyl-N-[2-(triazol-1-yl)ethyl]piperidine-4-carboxamide
CID 155946711
1-(4-chloro-2-cyanophenyl)-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide
CID 166240020
1-(4-chloro-2-cyanophenyl)-N-[2-(3-cyano-1,2,4-triazol-1-yl)ethyl]-4-methylpiperidine-4-carboxamide
CID 155947070
1-(4-chloro-2-cyanophenyl)-N-[(3,5-difluorophenyl)methyl]-4-methylpiperidine-4-carboxamide
CID 155946894
1-(4-chloro-2-cyanophenyl)-4-methyl-N-(thietan-3-ylmethyl)piperidine-4-carboxamide
CID 155952897
5-chloro-2-(4,4-dimethylpiperidin-1-yl)benzonitrile
CID 62930587
1-(5-chloro-2-cyanophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106150510
1-(4-chloro-2-cyanophenyl)-2-methylpiperidine-2-carboxylic acid
CID 104595788
N-[1-(4-chloro-2-cyanophenyl)pyrrolidin-3-yl]acetamide
CID 113402290
1-(8-methylimidazo[1,2-a]pyridin-6-yl)-3-(5,6,7,8-tetrahydroisoquinolin-1-ylmethyl)urea
CID 154794389
4-chloro-2-(3-hydroxy-3-methylpyrrolidin-1-yl)benzonitrile
CID 103868188
tert-butyl N-[(3S)-1-(4-chloro-2-cyanophenyl)pyrrolidin-3-yl]carbamate
CID 133380847

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-cyanophenyl)-4-methyl-N-(8-methylimidazo[1,2-a]pyridin-6-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-chloro-2-cyanophenyl)-4-methyl-N-(8-methylimidazo[1,2-a]pyridin-6-yl)piperidine-4-carboxamide (CID 155947783) is 1-(4-chloro-2-cyanophenyl)-4-methyl-N-(8-methylimidazo[1,2-a]pyridin-6-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chloro-2-cyanophenyl)-4-methyl-N-(8-methylimidazo[1,2-a]pyridin-6-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-chloro-2-cyanophenyl)-4-methyl-N-(8-methylimidazo[1,2-a]pyridin-6-yl)piperidine-4-carboxamide is Cc1cc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)cn2ccnc12.
What is the InChIKey of 1-(4-chloro-2-cyanophenyl)-4-methyl-N-(8-methylimidazo[1,2-a]pyridin-6-yl)piperidine-4-carboxamide?
The InChIKey is MXTDSTSDDQWPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O/c1-15-11-18(14-28-10-7-25-20(15)28)26-21(29)22(2)5-8-27(9-6-22)19-4-3-17(23)12-16(19)13-24/h3-4,7,10-12,14H,5-6,8-9H2,1-2H3,(H,26,29).
What are the key properties of 1-(4-chloro-2-cyanophenyl)-4-methyl-N-(8-methylimidazo[1,2-a]pyridin-6-yl)piperidine-4-carboxamide?
1-(4-chloro-2-cyanophenyl)-4-methyl-N-(8-methylimidazo[1,2-a]pyridin-6-yl)piperidine-4-carboxamide has a molecular weight of 407.91 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-cyanophenyl)-4-methyl-N-(8-methylimidazo[1,2-a]pyridin-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 155947783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).