N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide

C22H25N5O2 — CID 176500276

IUPACN-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCC1CCN(C(=O)CCNC(=O)c2cnc3c(c2)ncn3-c2ccccc2)CC1
InChIInChI=1S/C22H25N5O2/c1-16-8-11-26(12-9-16)20(28)7-10-23-22(29)17-13-19-21(24-14-17)27(15-25-19)18-5-3-2-4-6-18/h2-6,13-16H,7-12H2,1H3,(H,23,29)
InChIKeyGITIMNAHBWQNOP-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.80
Rot. Bonds5

About N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide

N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 176500276) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide
PubChem CID176500276
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCC1CCN(C(=O)CCNC(=O)c2cnc3c(c2)ncn3-c2ccccc2)CC1
InChIInChI=1S/C22H25N5O2/c1-16-8-11-26(12-9-16)20(28)7-10-23-22(29)17-13-19-21(24-14-17)27(15-25-19)18-5-3-2-4-6-18/h2-6,13-16H,7-12H2,1H3,(H,23,29)
InChIKeyGITIMNAHBWQNOP-UHFFFAOYSA-N
XLogP2.80
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide
CID 175641659
N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide
CID 176506711
N-(azepan-4-yl)-3-phenylimidazo[4,5-b]pyridine-6-carboxamide
CID 176506033
3-(3-methoxyphenyl)-N-(3-methoxypropyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 11198589
3,5-dimethoxy-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzamide
CID 17191669
[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone
CID 175644434
[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone
CID 176505977
4-bromo-N-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]benzamide
CID 39580304
N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 17154515
1-[3-[(4-tert-butylbenzoyl)amino]propanoyl]piperidine-4-carboxylic acid
CID 119349224
2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109250857
(3-phenylimidazo[4,5-b]pyridin-6-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone
CID 176504802

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide (CID 176500276) is N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide is CC1CCN(C(=O)CCNC(=O)c2cnc3c(c2)ncn3-c2ccccc2)CC1.
What is the InChIKey of N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is GITIMNAHBWQNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-16-8-11-26(12-9-16)20(28)7-10-23-22(29)17-13-19-21(24-14-17)27(15-25-19)18-5-3-2-4-6-18/h2-6,13-16H,7-12H2,1H3,(H,23,29).
What are the key properties of N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide?
N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 176500276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).