N-[1-(dimethylamino)propan-2-yl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide

C18H22N6O — CID 176503359

IUPACN-[1-(dimethylamino)propan-2-yl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESCC(CN(C)C)NC(=O)c1cnc2c(c1)ncn2Cc1ccccn1
InChIInChI=1S/C18H22N6O/c1-13(10-23(2)3)22-18(25)14-8-16-17(20-9-14)24(12-21-16)11-15-6-4-5-7-19-15/h4-9,12-13H,10-11H2,1-3H3,(H,22,25)
InChIKeyPSFXMTQIFONZSC-UHFFFAOYSA-N
MW338.42 g/mol
LogP1.55
Rot. Bonds6

About N-[1-(dimethylamino)propan-2-yl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide

N-[1-(dimethylamino)propan-2-yl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 176503359) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is N-[1-(dimethylamino)propan-2-yl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)propan-2-yl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID176503359
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC NameN-[1-(dimethylamino)propan-2-yl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESCC(CN(C)C)NC(=O)c1cnc2c(c1)ncn2Cc1ccccn1
InChIInChI=1S/C18H22N6O/c1-13(10-23(2)3)22-18(25)14-8-16-17(20-9-14)24(12-21-16)11-15-6-4-5-7-19-15/h4-9,12-13H,10-11H2,1-3H3,(H,22,25)
InChIKeyPSFXMTQIFONZSC-UHFFFAOYSA-N
XLogP1.55
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(pyridin-2-ylmethyl)-N-(3-pyridin-2-ylpropyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176503465
N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176504391
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176505417
N-[2-(dimethylamino)ethyl]-N-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176504403
(3-methoxypyrrolidin-1-yl)-[3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-6-yl]methanone
CID 176505470
3-benzyl-N-propyl-N-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176503111
methyl 3-ethyl-1-[3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carbonyl]piperidine-3-carboxylate
CID 176504456
N-[(2R)-1-(dimethylamino)propan-2-yl]-6-propan-2-ylpyridine-3-carboxamide
CID 59987604
(3-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 176505929
1-N,1-N-dimethyl-2-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
CID 82938712
3-benzyl-N-(3-hydroxycyclobutyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176506320
3-bromo-N-[1-(dimethylamino)propan-2-yl]pyridine-2-carboxamide
CID 107519243

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propan-2-yl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-[1-(dimethylamino)propan-2-yl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide (CID 176503359) is N-[1-(dimethylamino)propan-2-yl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)propan-2-yl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)propan-2-yl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide is CC(CN(C)C)NC(=O)c1cnc2c(c1)ncn2Cc1ccccn1.
What is the InChIKey of N-[1-(dimethylamino)propan-2-yl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is PSFXMTQIFONZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-13(10-23(2)3)22-18(25)14-8-16-17(20-9-14)24(12-21-16)11-15-6-4-5-7-19-15/h4-9,12-13H,10-11H2,1-3H3,(H,22,25).
What are the key properties of N-[1-(dimethylamino)propan-2-yl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide?
N-[1-(dimethylamino)propan-2-yl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 338.42 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)propan-2-yl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 176503359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).