N-cyclohexyl-4-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

C22H30N4O — CID 53161224

IUPACN-cyclohexyl-4-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC(C)n1cc(C2=CCN(C(=O)NC3CCCCC3)CC2)c2cccnc21
InChIInChI=1S/C22H30N4O/c1-16(2)26-15-20(19-9-6-12-23-21(19)26)17-10-13-25(14-11-17)22(27)24-18-7-4-3-5-8-18/h6,9-10,12,15-16,18H,3-5,7-8,11,13-14H2,1-2H3,(H,24,27)
InChIKeyLXIMVCLVVGIVJU-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.75
Rot. Bonds3

About N-cyclohexyl-4-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

N-cyclohexyl-4-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 53161224) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is N-cyclohexyl-4-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID53161224
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC NameN-cyclohexyl-4-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC(C)n1cc(C2=CCN(C(=O)NC3CCCCC3)CC2)c2cccnc21
InChIInChI=1S/C22H30N4O/c1-16(2)26-15-20(19-9-6-12-23-21(19)26)17-10-13-25(14-11-17)22(27)24-18-7-4-3-5-8-18/h6,9-10,12,15-16,18H,3-5,7-8,11,13-14H2,1-2H3,(H,24,27)
InChIKeyLXIMVCLVVGIVJU-UHFFFAOYSA-N
XLogP4.75
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclohexyl-4-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-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

N-cyclohexyl-4-(1-propylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 53161214
N-(oxan-4-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 165340215
N-(2,4-difluorophenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 53161157
N-(2,5-dimethoxyphenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 53161153
(4-methylpiperidin-1-yl)-[4-methyl-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-5-yl]methanone
CID 53173008
N-cyclohexyl-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 90421015
N-cyclopentyl-4-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 122602778
N-(3,5-dimethoxyphenyl)-4-(1-propylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 53161211
4-tert-butyl-N-cyclopentyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 115774573
N-cyclopentyl-4-[5-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 122602755
2-oxo-N-(2-piperidin-1-ylethyl)-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 46222156
1-cyclohexyl-3-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea
CID 53144575

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 53161224) is N-cyclohexyl-4-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is CC(C)n1cc(C2=CCN(C(=O)NC3CCCCC3)CC2)c2cccnc21.
What is the InChIKey of N-cyclohexyl-4-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is LXIMVCLVVGIVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-16(2)26-15-20(19-9-6-12-23-21(19)26)17-10-13-25(14-11-17)22(27)24-18-7-4-3-5-8-18/h6,9-10,12,15-16,18H,3-5,7-8,11,13-14H2,1-2H3,(H,24,27).
What are the key properties of N-cyclohexyl-4-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
N-cyclohexyl-4-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 53161224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).