2-amino-N-[3-(cyclohexylamino)-3-oxopropyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide

C18H26N6O2 — CID 70738655

IUPAC2-amino-N-[3-(cyclohexylamino)-3-oxopropyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCCn1c(N)nc2cc(C(=O)NCCC(=O)NC3CCCCC3)cnc21
InChIInChI=1S/C18H26N6O2/c1-2-24-16-14(23-18(24)19)10-12(11-21-16)17(26)20-9-8-15(25)22-13-6-4-3-5-7-13/h10-11,13H,2-9H2,1H3,(H2,19,23)(H,20,26)(H,22,25)
InChIKeyZCNGATVVHSEAAW-UHFFFAOYSA-N
MW358.45 g/mol
LogP1.60
Rot. Bonds6

About 2-amino-N-[3-(cyclohexylamino)-3-oxopropyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide

2-amino-N-[3-(cyclohexylamino)-3-oxopropyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 70738655) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 2-amino-N-[3-(cyclohexylamino)-3-oxopropyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-[3-(cyclohexylamino)-3-oxopropyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide
PubChem CID70738655
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name2-amino-N-[3-(cyclohexylamino)-3-oxopropyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCCn1c(N)nc2cc(C(=O)NCCC(=O)NC3CCCCC3)cnc21
InChIInChI=1S/C18H26N6O2/c1-2-24-16-14(23-18(24)19)10-12(11-21-16)17(26)20-9-8-15(25)22-13-6-4-3-5-7-13/h10-11,13H,2-9H2,1H3,(H2,19,23)(H,20,26)(H,22,25)
InChIKeyZCNGATVVHSEAAW-UHFFFAOYSA-N
XLogP1.60
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-3-ethyl-N-[4-(methylamino)-4-oxobutyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 70738438
2-amino-3-ethyl-N-(1-methylsulfonylpiperidin-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 70762048
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
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-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 70713455
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-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide
CID 70727629
2-(2-amino-6-methylimidazo[4,5-b]pyridin-3-yl)-N-cyclopropylacetamide
CID 79301757
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide
CID 70721834
2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide
CID 70755416

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(cyclohexylamino)-3-oxopropyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 2-amino-N-[3-(cyclohexylamino)-3-oxopropyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide (CID 70738655) is 2-amino-N-[3-(cyclohexylamino)-3-oxopropyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 2-amino-N-[3-(cyclohexylamino)-3-oxopropyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 2-amino-N-[3-(cyclohexylamino)-3-oxopropyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide is CCn1c(N)nc2cc(C(=O)NCCC(=O)NC3CCCCC3)cnc21.
What is the InChIKey of 2-amino-N-[3-(cyclohexylamino)-3-oxopropyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is ZCNGATVVHSEAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-2-24-16-14(23-18(24)19)10-12(11-21-16)17(26)20-9-8-15(25)22-13-6-4-3-5-7-13/h10-11,13H,2-9H2,1H3,(H2,19,23)(H,20,26)(H,22,25).
What are the key properties of 2-amino-N-[3-(cyclohexylamino)-3-oxopropyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide?
2-amino-N-[3-(cyclohexylamino)-3-oxopropyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 358.45 g/mol, XLogP of 1.60, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(cyclohexylamino)-3-oxopropyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 70738655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).