2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide

C19H20ClN5O — CID 70755416

IUPAC2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCCn1c(N)nc2cc(C(=O)NCC3(c4ccc(Cl)cc4)CC3)cnc21
InChIInChI=1S/C19H20ClN5O/c1-2-25-16-15(24-18(25)21)9-12(10-22-16)17(26)23-11-19(7-8-19)13-3-5-14(20)6-4-13/h3-6,9-10H,2,7-8,11H2,1H3,(H2,21,24)(H,23,26)
InChIKeyXVYPTQIXLDBDFT-UHFFFAOYSA-N
MW369.86 g/mol
LogP3.15
Rot. Bonds5

About 2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide

2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 70755416) has the molecular formula C19H20ClN5O and a molecular weight of 369.86 g/mol. Its IUPAC name is 2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide
PubChem CID70755416
Molecular FormulaC19H20ClN5O
Molecular Weight369.86 g/mol
Exact Mass369.14
IUPAC Name2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCCn1c(N)nc2cc(C(=O)NCC3(c4ccc(Cl)cc4)CC3)cnc21
InChIInChI=1S/C19H20ClN5O/c1-2-25-16-15(24-18(25)21)9-12(10-22-16)17(26)23-11-19(7-8-19)13-3-5-14(20)6-4-13/h3-6,9-10H,2,7-8,11H2,1H3,(H2,21,24)(H,23,26)
InChIKeyXVYPTQIXLDBDFT-UHFFFAOYSA-N
XLogP3.15
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide
CID 70721834
2-amino-3-ethyl-N-[4-(methylamino)-4-oxobutyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 70738438
2-amino-3-ethyl-N-[2-(2-hydroxyethoxy)ethyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 70739374
2-amino-3-ethyl-N-[2-(2-methylphenyl)ethyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 70723115
5,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide
CID 46462401
2-amino-3-ethyl-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 70704639
2-amino-N-[3-(cyclohexylamino)-3-oxopropyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide
CID 70738655
2-amino-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide
CID 70735988
2-amino-N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-ethylimidazo[4,5-b]pyridine-6-carboxamide
CID 70782320
2-amino-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide
CID 70739341
2-amino-3-ethyl-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 70746816
2-amino-3-ethyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 70713455

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide (CID 70755416) is 2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide is CCn1c(N)nc2cc(C(=O)NCC3(c4ccc(Cl)cc4)CC3)cnc21.
What is the InChIKey of 2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is XVYPTQIXLDBDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O/c1-2-25-16-15(24-18(25)21)9-12(10-22-16)17(26)23-11-19(7-8-19)13-3-5-14(20)6-4-13/h3-6,9-10H,2,7-8,11H2,1H3,(H2,21,24)(H,23,26).
What are the key properties of 2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide?
2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 369.86 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 70755416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).