4-(cyclohexylamino)-N-methyl-2-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C18H26N4O — CID 142456927

IUPAC4-(cyclohexylamino)-N-methyl-2-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCCCc1cc2c(NC3CCCCC3)c(C(=O)NC)cnc2[nH]1
InChIInChI=1S/C18H26N4O/c1-3-7-13-10-14-16(21-12-8-5-4-6-9-12)15(18(23)19-2)11-20-17(14)22-13/h10-12H,3-9H2,1-2H3,(H,19,23)(H2,20,21,22)
InChIKeyZSLCPSGSNVHLCQ-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.62
Rot. Bonds5

About 4-(cyclohexylamino)-N-methyl-2-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

4-(cyclohexylamino)-N-methyl-2-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 142456927) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 4-(cyclohexylamino)-N-methyl-2-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-(cyclohexylamino)-N-methyl-2-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID142456927
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name4-(cyclohexylamino)-N-methyl-2-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCCCc1cc2c(NC3CCCCC3)c(C(=O)NC)cnc2[nH]1
InChIInChI=1S/C18H26N4O/c1-3-7-13-10-14-16(21-12-8-5-4-6-9-12)15(18(23)19-2)11-20-17(14)22-13/h10-12H,3-9H2,1-2H3,(H,19,23)(H2,20,21,22)
InChIKeyZSLCPSGSNVHLCQ-UHFFFAOYSA-N
XLogP3.62
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-(cyclohexylamino)-N-methyl-2-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-aminocyclohexyl)amino]-N-methyl-2-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 146434970
4-(cyclohexylamino)-2-propyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 142456982
N-cyclohexyl-5-(6-methylpyridazin-3-yl)-2-propyl-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 142456930
5-(2-aminopyrimidin-4-yl)-N-cyclohexyl-2-propyl-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 142456913
2-butan-2-yl-4-(cyclohexylamino)-N-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 142456958
N-methyl-4-[[(2R,4R)-2-methylpiperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 167167182
ethyl 4-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 138624616
N-methyl-4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 142753460
4-[(4-aminocyclohexyl)amino]-N-(4-fluorophenyl)-2-(1-hydroxybutyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 146435154
ethyl 4-[(4-methylcyclohexyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 138624764
4-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 155757135
N-butyl-2-(cyclohexylamino)pyrimidine-5-carboxamide
CID 109248050

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-N-methyl-2-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 4-(cyclohexylamino)-N-methyl-2-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 142456927) is 4-(cyclohexylamino)-N-methyl-2-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-(cyclohexylamino)-N-methyl-2-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 4-(cyclohexylamino)-N-methyl-2-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is CCCc1cc2c(NC3CCCCC3)c(C(=O)NC)cnc2[nH]1.
What is the InChIKey of 4-(cyclohexylamino)-N-methyl-2-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is ZSLCPSGSNVHLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-3-7-13-10-14-16(21-12-8-5-4-6-9-12)15(18(23)19-2)11-20-17(14)22-13/h10-12H,3-9H2,1-2H3,(H,19,23)(H2,20,21,22).
What are the key properties of 4-(cyclohexylamino)-N-methyl-2-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
4-(cyclohexylamino)-N-methyl-2-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 3.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-N-methyl-2-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 142456927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).