[2-(aminomethyl)piperidin-1-yl]-[3-(oxan-4-yl)imidazo[4,5-b]pyridin-6-yl]methanone

C18H25N5O2 — CID 176506235

IUPAC[2-(aminomethyl)piperidin-1-yl]-[3-(oxan-4-yl)imidazo[4,5-b]pyridin-6-yl]methanone
SMILESNCC1CCCCN1C(=O)c1cnc2c(c1)ncn2C1CCOCC1
InChIInChI=1S/C18H25N5O2/c19-10-15-3-1-2-6-22(15)18(24)13-9-16-17(20-11-13)23(12-21-16)14-4-7-25-8-5-14/h9,11-12,14-15H,1-8,10,19H2
InChIKeyAFXPTRFYGMNIQM-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.74
Rot. Bonds3

About [2-(aminomethyl)piperidin-1-yl]-[3-(oxan-4-yl)imidazo[4,5-b]pyridin-6-yl]methanone

[2-(aminomethyl)piperidin-1-yl]-[3-(oxan-4-yl)imidazo[4,5-b]pyridin-6-yl]methanone (PubChem CID 176506235) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is [2-(aminomethyl)piperidin-1-yl]-[3-(oxan-4-yl)imidazo[4,5-b]pyridin-6-yl]methanone.

Molecular Properties

Compound Name[2-(aminomethyl)piperidin-1-yl]-[3-(oxan-4-yl)imidazo[4,5-b]pyridin-6-yl]methanone
PubChem CID176506235
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name[2-(aminomethyl)piperidin-1-yl]-[3-(oxan-4-yl)imidazo[4,5-b]pyridin-6-yl]methanone
SMILESNCC1CCCCN1C(=O)c1cnc2c(c1)ncn2C1CCOCC1
InChIInChI=1S/C18H25N5O2/c19-10-15-3-1-2-6-22(15)18(24)13-9-16-17(20-11-13)23(12-21-16)14-4-7-25-8-5-14/h9,11-12,14-15H,1-8,10,19H2
InChIKeyAFXPTRFYGMNIQM-UHFFFAOYSA-N
XLogP1.74
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(aminomethyl)piperidin-1-yl]-[3-(oxan-4-yl)imidazo[4,5-b]pyridin-6-yl]methanone with MolForge

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Related Compounds

1-(3-cyclopentylimidazo[4,5-b]pyridine-6-carbonyl)piperidine-4-carboxamide
CID 175644781
furan-2-yl-[4-[3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carbonyl]piperazin-1-yl]methanone
CID 176500253
[4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl]-[3-(oxan-4-yl)imidazo[4,5-b]pyridin-6-yl]methanone
CID 176500860
(3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone
CID 176500830
[2-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 115736898
3-cyclopropyl-N-(2-morpholin-4-ylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 175644669
3-cyclopentyl-N-[4-(morpholin-4-ylmethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 175645216
N-benzyl-N-methyl-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 175646445
[2-(aminomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 104671337
6-[2-(aminomethyl)piperidine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 119469220
(3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-[(1R,5S,6R)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]methanone
CID 176506230
(3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone
CID 176503873

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperidin-1-yl]-[3-(oxan-4-yl)imidazo[4,5-b]pyridin-6-yl]methanone?
The IUPAC name of [2-(aminomethyl)piperidin-1-yl]-[3-(oxan-4-yl)imidazo[4,5-b]pyridin-6-yl]methanone (CID 176506235) is [2-(aminomethyl)piperidin-1-yl]-[3-(oxan-4-yl)imidazo[4,5-b]pyridin-6-yl]methanone.
What is the SMILES notation for [2-(aminomethyl)piperidin-1-yl]-[3-(oxan-4-yl)imidazo[4,5-b]pyridin-6-yl]methanone?
The canonical SMILES for [2-(aminomethyl)piperidin-1-yl]-[3-(oxan-4-yl)imidazo[4,5-b]pyridin-6-yl]methanone is NCC1CCCCN1C(=O)c1cnc2c(c1)ncn2C1CCOCC1.
What is the InChIKey of [2-(aminomethyl)piperidin-1-yl]-[3-(oxan-4-yl)imidazo[4,5-b]pyridin-6-yl]methanone?
The InChIKey is AFXPTRFYGMNIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c19-10-15-3-1-2-6-22(15)18(24)13-9-16-17(20-11-13)23(12-21-16)14-4-7-25-8-5-14/h9,11-12,14-15H,1-8,10,19H2.
What are the key properties of [2-(aminomethyl)piperidin-1-yl]-[3-(oxan-4-yl)imidazo[4,5-b]pyridin-6-yl]methanone?
[2-(aminomethyl)piperidin-1-yl]-[3-(oxan-4-yl)imidazo[4,5-b]pyridin-6-yl]methanone has a molecular weight of 343.43 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)piperidin-1-yl]-[3-(oxan-4-yl)imidazo[4,5-b]pyridin-6-yl]methanone is sourced from PubChem (CID 176506235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).