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

C18H27N5O — CID 146434970

IUPAC4-[(4-aminocyclohexyl)amino]-N-methyl-2-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCCCc1cc2c(NC3CCC(N)CC3)c(C(=O)NC)cnc2[nH]1
InChIInChI=1S/C18H27N5O/c1-3-4-13-9-14-16(22-12-7-5-11(19)6-8-12)15(18(24)20-2)10-21-17(14)23-13/h9-12H,3-8,19H2,1-2H3,(H,20,24)(H2,21,22,23)
InChIKeySTWPMQOLGBQQBO-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.56
Rot. Bonds5

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

4-[(4-aminocyclohexyl)amino]-N-methyl-2-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 146434970) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 4-[(4-aminocyclohexyl)amino]-N-methyl-2-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-[(4-aminocyclohexyl)amino]-N-methyl-2-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID146434970
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name4-[(4-aminocyclohexyl)amino]-N-methyl-2-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCCCc1cc2c(NC3CCC(N)CC3)c(C(=O)NC)cnc2[nH]1
InChIInChI=1S/C18H27N5O/c1-3-4-13-9-14-16(22-12-7-5-11(19)6-8-12)15(18(24)20-2)10-21-17(14)23-13/h9-12H,3-8,19H2,1-2H3,(H,20,24)(H2,21,22,23)
InChIKeySTWPMQOLGBQQBO-UHFFFAOYSA-N
XLogP2.56
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-[(4-aminocyclohexyl)amino]-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-(cyclohexylamino)-N-methyl-2-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 142456927
4-(cyclohexylamino)-2-propyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 142456982
4-[(4-aminocyclohexyl)amino]-N-(4-fluorophenyl)-2-(1-hydroxybutyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 146435154
5-(2-aminopyrimidin-4-yl)-N-cyclohexyl-2-propyl-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 142456913
N-cyclohexyl-5-(6-methylpyridazin-3-yl)-2-propyl-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 142456930
methyl 4-[(4-aminocyclohexyl)amino]-6-propyl-7H-cyclopenta[b]pyridine-3-carboxylate
CID 159841950
N-methyl-4-[[(2R,4R)-2-methylpiperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 167167182
2-butan-2-yl-4-(cyclohexylamino)-N-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 142456958
ethyl 4-[(4-methylcyclohexyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 138624764
N-methyl-4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 142753460
N-(4-aminocyclohexyl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119479154
2-[4-[(4-aminocyclohexyl)amino]pyrazol-1-yl]-N-methylacetamide
CID 79730983

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminocyclohexyl)amino]-N-methyl-2-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 4-[(4-aminocyclohexyl)amino]-N-methyl-2-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 146434970) is 4-[(4-aminocyclohexyl)amino]-N-methyl-2-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-[(4-aminocyclohexyl)amino]-N-methyl-2-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 4-[(4-aminocyclohexyl)amino]-N-methyl-2-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is CCCc1cc2c(NC3CCC(N)CC3)c(C(=O)NC)cnc2[nH]1.
What is the InChIKey of 4-[(4-aminocyclohexyl)amino]-N-methyl-2-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is STWPMQOLGBQQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-3-4-13-9-14-16(22-12-7-5-11(19)6-8-12)15(18(24)20-2)10-21-17(14)23-13/h9-12H,3-8,19H2,1-2H3,(H,20,24)(H2,21,22,23).
What are the key properties of 4-[(4-aminocyclohexyl)amino]-N-methyl-2-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
4-[(4-aminocyclohexyl)amino]-N-methyl-2-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 329.45 g/mol, XLogP of 2.56, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminocyclohexyl)amino]-N-methyl-2-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 146434970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).