1-[3-(5-cyano-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]ethylcarbamic acid

C15H12N6O2 — CID 174216623

IUPAC1-[3-(5-cyano-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]ethylcarbamic acid
SMILESCC(NC(=O)O)c1nc2cccnc2n1-c1ccc(C#N)cn1
InChIInChI=1S/C15H12N6O2/c1-9(19-15(22)23)13-20-11-3-2-6-17-14(11)21(13)12-5-4-10(7-16)8-18-12/h2-6,8-9,19H,1H3,(H,22,23)
InChIKeyHMJHESBLOPBKNK-UHFFFAOYSA-N
MW308.30 g/mol
LogP2.02
Rot. Bonds3

About 1-[3-(5-cyano-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]ethylcarbamic acid

1-[3-(5-cyano-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]ethylcarbamic acid (PubChem CID 174216623) has the molecular formula C15H12N6O2 and a molecular weight of 308.30 g/mol. Its IUPAC name is 1-[3-(5-cyano-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]ethylcarbamic acid.

Molecular Properties

Compound Name1-[3-(5-cyano-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]ethylcarbamic acid
PubChem CID174216623
Molecular FormulaC15H12N6O2
Molecular Weight308.30 g/mol
Exact Mass308.10
IUPAC Name1-[3-(5-cyano-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]ethylcarbamic acid
SMILESCC(NC(=O)O)c1nc2cccnc2n1-c1ccc(C#N)cn1
InChIInChI=1S/C15H12N6O2/c1-9(19-15(22)23)13-20-11-3-2-6-17-14(11)21(13)12-5-4-10(7-16)8-18-12/h2-6,8-9,19H,1H3,(H,22,23)
InChIKeyHMJHESBLOPBKNK-UHFFFAOYSA-N
XLogP2.02
TPSA116.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[3-(5-cyano-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]ethyl]-3,5-bis(difluoromethyl)benzamide
CID 166107257
[(1S)-1-(3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamic acid
CID 141346036
[(1S)-1-[3-(4-chlorophenyl)imidazo[4,5-b]pyridin-2-yl]ethyl]carbamic acid
CID 141346004
4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)benzonitrile
CID 59706942
6-[2-[1-[[3,5-bis(trifluoromethyl)benzoyl]amino]ethyl]imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpyridine-3-carboxamide
CID 166107265
4-(2-methylimidazo[4,5-b]pyridin-3-yl)benzonitrile
CID 15005396
6-chloro-N-[(1S)-1-[2-(5-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]pyridine-2-carboxamide
CID 164935954
3-chloro-4-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]benzonitrile
CID 107809217
N-[1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]acetamide
CID 110225702
1-(5-cyano-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid
CID 90233173
3,5-dichloro-N-[(1S)-1-[2-(5-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]benzamide
CID 162496214
N-[(1S)-1-[2-(5-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]-3,4,5-trifluorobenzamide
CID 162496253

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-cyano-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]ethylcarbamic acid?
The IUPAC name of 1-[3-(5-cyano-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]ethylcarbamic acid (CID 174216623) is 1-[3-(5-cyano-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]ethylcarbamic acid.
What is the SMILES notation for 1-[3-(5-cyano-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]ethylcarbamic acid?
The canonical SMILES for 1-[3-(5-cyano-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]ethylcarbamic acid is CC(NC(=O)O)c1nc2cccnc2n1-c1ccc(C#N)cn1.
What is the InChIKey of 1-[3-(5-cyano-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]ethylcarbamic acid?
The InChIKey is HMJHESBLOPBKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O2/c1-9(19-15(22)23)13-20-11-3-2-6-17-14(11)21(13)12-5-4-10(7-16)8-18-12/h2-6,8-9,19H,1H3,(H,22,23).
What are the key properties of 1-[3-(5-cyano-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]ethylcarbamic acid?
1-[3-(5-cyano-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]ethylcarbamic acid has a molecular weight of 308.30 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-cyano-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]ethylcarbamic acid is sourced from PubChem (CID 174216623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).