N-[2-(2-aminoimidazo[4,5-b]pyridin-3-yl)ethyl]cyclopropanecarboxamide

C12H15N5O — CID 113481413

IUPACN-[2-(2-aminoimidazo[4,5-b]pyridin-3-yl)ethyl]cyclopropanecarboxamide
SMILESNc1nc2cccnc2n1CCNC(=O)C1CC1
InChIInChI=1S/C12H15N5O/c13-12-16-9-2-1-5-14-10(9)17(12)7-6-15-11(18)8-3-4-8/h1-2,5,8H,3-4,6-7H2,(H2,13,16)(H,15,18)
InChIKeyWSOCHFWRACXSHJ-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.54
Rot. Bonds4

About N-[2-(2-aminoimidazo[4,5-b]pyridin-3-yl)ethyl]cyclopropanecarboxamide

N-[2-(2-aminoimidazo[4,5-b]pyridin-3-yl)ethyl]cyclopropanecarboxamide (PubChem CID 113481413) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is N-[2-(2-aminoimidazo[4,5-b]pyridin-3-yl)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(2-aminoimidazo[4,5-b]pyridin-3-yl)ethyl]cyclopropanecarboxamide
PubChem CID113481413
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC NameN-[2-(2-aminoimidazo[4,5-b]pyridin-3-yl)ethyl]cyclopropanecarboxamide
SMILESNc1nc2cccnc2n1CCNC(=O)C1CC1
InChIInChI=1S/C12H15N5O/c13-12-16-9-2-1-5-14-10(9)17(12)7-6-15-11(18)8-3-4-8/h1-2,5,8H,3-4,6-7H2,(H2,13,16)(H,15,18)
InChIKeyWSOCHFWRACXSHJ-UHFFFAOYSA-N
XLogP0.54
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[1-[(4-fluorophenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]cyclopropanecarboxamide
CID 53159427
3-(cyclohexylmethyl)imidazo[4,5-b]pyridin-2-amine
CID 79289426
1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 50781226
3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-amine
CID 79289500
1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 50781121
N-[2-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]cyclohexanecarboxamide
CID 53143762
N-[2-(5-quinolin-6-yltetrazol-2-yl)ethyl]cyclopropanecarboxamide
CID 138020774
3-(2-pyrazol-1-ylethyl)imidazo[4,5-b]pyridin-2-amine
CID 79289514
N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]cyclohexanecarboxamide
CID 53159393
3-(4-imidazol-1-ylbutyl)imidazo[4,5-b]pyridin-2-amine
CID 79289839
3-(2-butoxyethyl)imidazo[4,5-b]pyridin-2-amine
CID 79289761
2-cyclohexyl-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]acetamide
CID 53004141

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoimidazo[4,5-b]pyridin-3-yl)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(2-aminoimidazo[4,5-b]pyridin-3-yl)ethyl]cyclopropanecarboxamide (CID 113481413) is N-[2-(2-aminoimidazo[4,5-b]pyridin-3-yl)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(2-aminoimidazo[4,5-b]pyridin-3-yl)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(2-aminoimidazo[4,5-b]pyridin-3-yl)ethyl]cyclopropanecarboxamide is Nc1nc2cccnc2n1CCNC(=O)C1CC1.
What is the InChIKey of N-[2-(2-aminoimidazo[4,5-b]pyridin-3-yl)ethyl]cyclopropanecarboxamide?
The InChIKey is WSOCHFWRACXSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c13-12-16-9-2-1-5-14-10(9)17(12)7-6-15-11(18)8-3-4-8/h1-2,5,8H,3-4,6-7H2,(H2,13,16)(H,15,18).
What are the key properties of N-[2-(2-aminoimidazo[4,5-b]pyridin-3-yl)ethyl]cyclopropanecarboxamide?
N-[2-(2-aminoimidazo[4,5-b]pyridin-3-yl)ethyl]cyclopropanecarboxamide has a molecular weight of 245.29 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoimidazo[4,5-b]pyridin-3-yl)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 113481413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).