N-[4-[4-(2-cyanopropanoylamino)indol-1-yl]-2-pyridinyl]cyclopropanecarboxamide

C21H19N5O2 — CID 146571625

IUPACN-[4-[4-(2-cyanopropanoylamino)indol-1-yl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCC(C#N)C(=O)Nc1cccc2c1ccn2-c1ccnc(NC(=O)C2CC2)c1
InChIInChI=1S/C21H19N5O2/c1-13(12-22)20(27)24-17-3-2-4-18-16(17)8-10-26(18)15-7-9-23-19(11-15)25-21(28)14-5-6-14/h2-4,7-11,13-14H,5-6H2,1H3,(H,24,27)(H,23,25,28)
InChIKeyYTSKOGHUPKARSD-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.47
Rot. Bonds5

About N-[4-[4-(2-cyanopropanoylamino)indol-1-yl]-2-pyridinyl]cyclopropanecarboxamide

N-[4-[4-(2-cyanopropanoylamino)indol-1-yl]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 146571625) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-[4-[4-(2-cyanopropanoylamino)indol-1-yl]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[4-(2-cyanopropanoylamino)indol-1-yl]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID146571625
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC NameN-[4-[4-(2-cyanopropanoylamino)indol-1-yl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCC(C#N)C(=O)Nc1cccc2c1ccn2-c1ccnc(NC(=O)C2CC2)c1
InChIInChI=1S/C21H19N5O2/c1-13(12-22)20(27)24-17-3-2-4-18-16(17)8-10-26(18)15-7-9-23-19(11-15)25-21(28)14-5-6-14/h2-4,7-11,13-14H,5-6H2,1H3,(H,24,27)(H,23,25,28)
InChIKeyYTSKOGHUPKARSD-UHFFFAOYSA-N
XLogP3.47
TPSA99.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[4-(2-cyanopropanoylamino)indol-1-yl]-2-pyridinyl]cyclopropanecarboxamide 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-[4-[4-(2,3-dimethylbut-2-enoylamino)indol-1-yl]-2-pyridinyl]cyclopropanecarboxamide
CID 146614177
N-[1-[2-(cyclopropanecarbonylamino)-4-pyridinyl]indol-4-yl]-2,3-difluoropyridine-4-carboxamide
CID 146571651
N-(4-ethyl-2-pyridinyl)cyclopropanecarboxamide
CID 89291693
N-(4-methyl-2-pyridinyl)-1-[1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 55922300
(3R)-N-(1-methylindol-4-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 96556781
N-(3-chloro-2-pyrazol-1-ylphenyl)cyclopropanecarboxamide
CID 47251954
2-methyl-N-(1-propan-2-ylindol-4-yl)propanamide
CID 71706625
4-propan-2-yl-N-[2-[(4-propan-2-ylcyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
CID 174928613
4-(1-aminoethyl)-N-(2-pyrimidin-2-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)cyclohexane-1-carboxamide
CID 156575942
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]cyclopropanecarboxamide
CID 102820910
N-(4-bromo-2-pyridinyl)-4-methylcyclohexane-1-carboxamide
CID 102674384
N-(5-ethyl-2-propan-2-yl-3-pyridinyl)cyclopropanecarboxamide
CID 170104280

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-cyanopropanoylamino)indol-1-yl]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[4-(2-cyanopropanoylamino)indol-1-yl]-2-pyridinyl]cyclopropanecarboxamide (CID 146571625) is N-[4-[4-(2-cyanopropanoylamino)indol-1-yl]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[4-(2-cyanopropanoylamino)indol-1-yl]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[4-(2-cyanopropanoylamino)indol-1-yl]-2-pyridinyl]cyclopropanecarboxamide is CC(C#N)C(=O)Nc1cccc2c1ccn2-c1ccnc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[4-[4-(2-cyanopropanoylamino)indol-1-yl]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is YTSKOGHUPKARSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-13(12-22)20(27)24-17-3-2-4-18-16(17)8-10-26(18)15-7-9-23-19(11-15)25-21(28)14-5-6-14/h2-4,7-11,13-14H,5-6H2,1H3,(H,24,27)(H,23,25,28).
What are the key properties of N-[4-[4-(2-cyanopropanoylamino)indol-1-yl]-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[4-(2-cyanopropanoylamino)indol-1-yl]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 373.42 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-cyanopropanoylamino)indol-1-yl]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 146571625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).