2-[[1-(cyanomethyl)cyclopropyl]methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide

C13H13N5O — CID 164522178

IUPAC2-[[1-(cyanomethyl)cyclopropyl]methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide
SMILESN#CCC1(Cc2nc3nc(C(N)=O)ccc3[nH]2)CC1
InChIInChI=1S/C13H13N5O/c14-6-5-13(3-4-13)7-10-16-9-2-1-8(11(15)19)17-12(9)18-10/h1-2H,3-5,7H2,(H2,15,19)(H,16,17,18)
InChIKeyKJYFWPRDTGXQSU-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.29
Rot. Bonds4

About 2-[[1-(cyanomethyl)cyclopropyl]methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide

2-[[1-(cyanomethyl)cyclopropyl]methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide (PubChem CID 164522178) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-[[1-(cyanomethyl)cyclopropyl]methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-[[1-(cyanomethyl)cyclopropyl]methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide
PubChem CID164522178
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name2-[[1-(cyanomethyl)cyclopropyl]methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide
SMILESN#CCC1(Cc2nc3nc(C(N)=O)ccc3[nH]2)CC1
InChIInChI=1S/C13H13N5O/c14-6-5-13(3-4-13)7-10-16-9-2-1-8(11(15)19)17-12(9)18-10/h1-2H,3-5,7H2,(H2,15,19)(H,16,17,18)
InChIKeyKJYFWPRDTGXQSU-UHFFFAOYSA-N
XLogP1.29
TPSA108.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)methyl]cyclopentane-1-carboxylic acid
CID 79821700
2-[(1-aminocyclopentyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821707
2-[1-[[5-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]cyclopentyl]acetic acid
CID 79817625
2-propyl-1H-imidazo[4,5-b]pyridine-5-carboxylic acid
CID 130705281
2-(5-methoxycyclohepta-1,6-dien-1-yl)-1H-imidazo[4,5-b]pyridine-5-carboxamide
CID 142235766
1-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)cyclohexan-1-amine
CID 64671633
6-[[1-(cyanomethyl)cyclopropyl]methylamino]pyridine-2-carboxylic acid
CID 122057114
2-(methylsulfonylmethyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821236
5-methoxy-2-[(1-methoxycyclobutyl)methyl]-1H-imidazo[4,5-b]pyridine
CID 103557135
2-(5H-imidazo[4,5-c]pyridazin-6-yl)acetic acid
CID 112710710
ethyl 2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)acetate
CID 79474241
1-(7H-purin-8-ylmethyl)cycloheptane-1-carboxylic acid
CID 114401818

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(cyanomethyl)cyclopropyl]methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide?
The IUPAC name of 2-[[1-(cyanomethyl)cyclopropyl]methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide (CID 164522178) is 2-[[1-(cyanomethyl)cyclopropyl]methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide.
What is the SMILES notation for 2-[[1-(cyanomethyl)cyclopropyl]methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide?
The canonical SMILES for 2-[[1-(cyanomethyl)cyclopropyl]methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide is N#CCC1(Cc2nc3nc(C(N)=O)ccc3[nH]2)CC1.
What is the InChIKey of 2-[[1-(cyanomethyl)cyclopropyl]methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide?
The InChIKey is KJYFWPRDTGXQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c14-6-5-13(3-4-13)7-10-16-9-2-1-8(11(15)19)17-12(9)18-10/h1-2H,3-5,7H2,(H2,15,19)(H,16,17,18).
What are the key properties of 2-[[1-(cyanomethyl)cyclopropyl]methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide?
2-[[1-(cyanomethyl)cyclopropyl]methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide has a molecular weight of 255.28 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(cyanomethyl)cyclopropyl]methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide is sourced from PubChem (CID 164522178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).