(3R)-N-(5-chloro-2-methoxyphenyl)-3-(imidazo[4,5-b]pyridin-3-ylmethyl)piperidine-1-carboxamide

C20H22ClN5O2 — CID 99747517

IUPAC(3R)-N-(5-chloro-2-methoxyphenyl)-3-(imidazo[4,5-b]pyridin-3-ylmethyl)piperidine-1-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)N1CCC[C@H](Cn2cnc3cccnc32)C1
InChIInChI=1S/C20H22ClN5O2/c1-28-18-7-6-15(21)10-17(18)24-20(27)25-9-3-4-14(11-25)12-26-13-23-16-5-2-8-22-19(16)26/h2,5-8,10,13-14H,3-4,9,11-12H2,1H3,(H,24,27)/t14-/m0/s1
InChIKeyXFCMZASURKLBKP-AWEZNQCLSA-N
MW399.88 g/mol
LogP4.04
Rot. Bonds4

About (3R)-N-(5-chloro-2-methoxyphenyl)-3-(imidazo[4,5-b]pyridin-3-ylmethyl)piperidine-1-carboxamide

(3R)-N-(5-chloro-2-methoxyphenyl)-3-(imidazo[4,5-b]pyridin-3-ylmethyl)piperidine-1-carboxamide (PubChem CID 99747517) has the molecular formula C20H22ClN5O2 and a molecular weight of 399.88 g/mol. Its IUPAC name is (3R)-N-(5-chloro-2-methoxyphenyl)-3-(imidazo[4,5-b]pyridin-3-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(5-chloro-2-methoxyphenyl)-3-(imidazo[4,5-b]pyridin-3-ylmethyl)piperidine-1-carboxamide
PubChem CID99747517
Molecular FormulaC20H22ClN5O2
Molecular Weight399.88 g/mol
Exact Mass399.15
IUPAC Name(3R)-N-(5-chloro-2-methoxyphenyl)-3-(imidazo[4,5-b]pyridin-3-ylmethyl)piperidine-1-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)N1CCC[C@H](Cn2cnc3cccnc32)C1
InChIInChI=1S/C20H22ClN5O2/c1-28-18-7-6-15(21)10-17(18)24-20(27)25-9-3-4-14(11-25)12-26-13-23-16-5-2-8-22-19(16)26/h2,5-8,10,13-14H,3-4,9,11-12H2,1H3,(H,24,27)/t14-/m0/s1
InChIKeyXFCMZASURKLBKP-AWEZNQCLSA-N
XLogP4.04
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethylphenyl)-3-(imidazo[4,5-b]pyridin-3-ylmethyl)piperidine-1-carboxamide
CID 91904171
4-(benzimidazol-1-ylmethyl)-N-(5-chloro-2-methoxyphenyl)piperidine-1-carboxamide;oxalic acid
CID 71780969
(3R)-N-(5-chloro-2-methoxyphenyl)-3-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide
CID 97435778
N-(5-chloro-2-methoxyphenyl)-3-(phenylmethoxymethyl)piperidine-1-carboxamide
CID 90505566
N-(5-chloro-2-methoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 71781145
(3S)-1-[(5-chloro-2-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81121106
N-(5-chloro-2-methoxyphenyl)-3-[1-(pyrimidin-2-ylmethyl)piperidin-3-yl]propanamide
CID 72931584
N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-(quinoline-3-carbonyl)piperidin-3-yl]propanamide
CID 42565918
N-(5-chloro-2-methoxyphenyl)-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carboxamide
CID 53084389
(3R)-N-(5-chloro-2-methoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430962
1-[[(3S)-1-[(2-methoxyphenyl)carbamoyl]piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 95125167
(3S)-3-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 97278510

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(5-chloro-2-methoxyphenyl)-3-(imidazo[4,5-b]pyridin-3-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-(5-chloro-2-methoxyphenyl)-3-(imidazo[4,5-b]pyridin-3-ylmethyl)piperidine-1-carboxamide (CID 99747517) is (3R)-N-(5-chloro-2-methoxyphenyl)-3-(imidazo[4,5-b]pyridin-3-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(5-chloro-2-methoxyphenyl)-3-(imidazo[4,5-b]pyridin-3-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(5-chloro-2-methoxyphenyl)-3-(imidazo[4,5-b]pyridin-3-ylmethyl)piperidine-1-carboxamide is COc1ccc(Cl)cc1NC(=O)N1CCC[C@H](Cn2cnc3cccnc32)C1.
What is the InChIKey of (3R)-N-(5-chloro-2-methoxyphenyl)-3-(imidazo[4,5-b]pyridin-3-ylmethyl)piperidine-1-carboxamide?
The InChIKey is XFCMZASURKLBKP-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22ClN5O2/c1-28-18-7-6-15(21)10-17(18)24-20(27)25-9-3-4-14(11-25)12-26-13-23-16-5-2-8-22-19(16)26/h2,5-8,10,13-14H,3-4,9,11-12H2,1H3,(H,24,27)/t14-/m0/s1.
What are the key properties of (3R)-N-(5-chloro-2-methoxyphenyl)-3-(imidazo[4,5-b]pyridin-3-ylmethyl)piperidine-1-carboxamide?
(3R)-N-(5-chloro-2-methoxyphenyl)-3-(imidazo[4,5-b]pyridin-3-ylmethyl)piperidine-1-carboxamide has a molecular weight of 399.88 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(5-chloro-2-methoxyphenyl)-3-(imidazo[4,5-b]pyridin-3-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 99747517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).