ethyl N-[6-(3-chloroanilino)-1H-imidazo[4,5-b]pyridin-2-yl]carbamate

C15H14ClN5O2 — CID 22570397

IUPACethyl N-[6-(3-chloroanilino)-1H-imidazo[4,5-b]pyridin-2-yl]carbamate
SMILESCCOC(=O)Nc1nc2ncc(Nc3cccc(Cl)c3)cc2[nH]1
InChIInChI=1S/C15H14ClN5O2/c1-2-23-15(22)21-14-19-12-7-11(8-17-13(12)20-14)18-10-5-3-4-9(16)6-10/h3-8,18H,2H2,1H3,(H2,17,19,20,21,22)
InChIKeyYXKHTXMDNZETTG-UHFFFAOYSA-N
MW331.76 g/mol
LogP3.92
Rot. Bonds4

About ethyl N-[6-(3-chloroanilino)-1H-imidazo[4,5-b]pyridin-2-yl]carbamate

ethyl N-[6-(3-chloroanilino)-1H-imidazo[4,5-b]pyridin-2-yl]carbamate (PubChem CID 22570397) has the molecular formula C15H14ClN5O2 and a molecular weight of 331.76 g/mol. Its IUPAC name is ethyl N-[6-(3-chloroanilino)-1H-imidazo[4,5-b]pyridin-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[6-(3-chloroanilino)-1H-imidazo[4,5-b]pyridin-2-yl]carbamate
PubChem CID22570397
Molecular FormulaC15H14ClN5O2
Molecular Weight331.76 g/mol
Exact Mass331.08
IUPAC Nameethyl N-[6-(3-chloroanilino)-1H-imidazo[4,5-b]pyridin-2-yl]carbamate
SMILESCCOC(=O)Nc1nc2ncc(Nc3cccc(Cl)c3)cc2[nH]1
InChIInChI=1S/C15H14ClN5O2/c1-2-23-15(22)21-14-19-12-7-11(8-17-13(12)20-14)18-10-5-3-4-9(16)6-10/h3-8,18H,2H2,1H3,(H2,17,19,20,21,22)
InChIKeyYXKHTXMDNZETTG-UHFFFAOYSA-N
XLogP3.92
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[6-(4-nitroanilino)-1H-imidazo[4,5-b]pyridin-2-yl]carbamate
CID 22570468
ethyl N-[6-[2-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate
CID 57168992
ethyl N-[6-(3-methylphenyl)sulfanyl-1H-imidazo[4,5-b]pyridin-2-yl]carbamate
CID 22570393
ethyl N-[6-(4-methylphenoxy)-1H-imidazo[4,5-b]pyridin-2-yl]carbamate
CID 22570394
4-[[2-(methoxycarbonylamino)-1H-imidazo[4,5-b]pyridin-6-yl]amino]benzoic acid
CID 22570496
ethyl N-[4-chloro-2-(3-chloroanilino)phenyl]carbamate
CID 12930188
ethyl 2-(3-chloroanilino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate
CID 140987853
ethyl 5-(3-chloroanilino)pyridine-3-carboxylate
CID 82535073
ethyl N-[5-(3,5-dichloroanilino)-2-pyridinyl]carbamate
CID 113036803
ethyl 3-(3-chloroanilino)benzoate
CID 82535753
6-(3-chloroanilino)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 57113380
ethyl N-[(3-chlorophenyl)carbamoylamino]carbamate
CID 5227471

Frequently Asked Questions

What is the IUPAC name of ethyl N-[6-(3-chloroanilino)-1H-imidazo[4,5-b]pyridin-2-yl]carbamate?
The IUPAC name of ethyl N-[6-(3-chloroanilino)-1H-imidazo[4,5-b]pyridin-2-yl]carbamate (CID 22570397) is ethyl N-[6-(3-chloroanilino)-1H-imidazo[4,5-b]pyridin-2-yl]carbamate.
What is the SMILES notation for ethyl N-[6-(3-chloroanilino)-1H-imidazo[4,5-b]pyridin-2-yl]carbamate?
The canonical SMILES for ethyl N-[6-(3-chloroanilino)-1H-imidazo[4,5-b]pyridin-2-yl]carbamate is CCOC(=O)Nc1nc2ncc(Nc3cccc(Cl)c3)cc2[nH]1.
What is the InChIKey of ethyl N-[6-(3-chloroanilino)-1H-imidazo[4,5-b]pyridin-2-yl]carbamate?
The InChIKey is YXKHTXMDNZETTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O2/c1-2-23-15(22)21-14-19-12-7-11(8-17-13(12)20-14)18-10-5-3-4-9(16)6-10/h3-8,18H,2H2,1H3,(H2,17,19,20,21,22).
What are the key properties of ethyl N-[6-(3-chloroanilino)-1H-imidazo[4,5-b]pyridin-2-yl]carbamate?
ethyl N-[6-(3-chloroanilino)-1H-imidazo[4,5-b]pyridin-2-yl]carbamate has a molecular weight of 331.76 g/mol, XLogP of 3.92, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[6-(3-chloroanilino)-1H-imidazo[4,5-b]pyridin-2-yl]carbamate is sourced from PubChem (CID 22570397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).