N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]cyclopropanecarboxamide

C21H27N3O — CID 113021701

IUPACN-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]cyclopropanecarboxamide
SMILESCC(C)c1cccc(C(C)C)c1Nc1ccc(NC(=O)C2CC2)cn1
InChIInChI=1S/C21H27N3O/c1-13(2)17-6-5-7-18(14(3)4)20(17)24-19-11-10-16(12-22-19)23-21(25)15-8-9-15/h5-7,10-15H,8-9H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyUHOCTQRLZRCQSR-UHFFFAOYSA-N
MW337.47 g/mol
LogP5.42
Rot. Bonds6

About N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]cyclopropanecarboxamide

N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]cyclopropanecarboxamide (PubChem CID 113021701) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]cyclopropanecarboxamide
PubChem CID113021701
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC NameN-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]cyclopropanecarboxamide
SMILESCC(C)c1cccc(C(C)C)c1Nc1ccc(NC(=O)C2CC2)cn1
InChIInChI=1S/C21H27N3O/c1-13(2)17-6-5-7-18(14(3)4)20(17)24-19-11-10-16(12-22-19)23-21(25)15-8-9-15/h5-7,10-15H,8-9H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyUHOCTQRLZRCQSR-UHFFFAOYSA-N
XLogP5.42
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.47
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[6-[2,6-di(propan-2-yl)anilino]-3-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-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]propanamide
CID 113021698
methyl N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]carbamate
CID 113021705
N-[6-(2-methylanilino)-3-pyridinyl]cyclopropanecarboxamide
CID 113016079
1-cyclopropyl-3-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]urea
CID 113018035
N-[6-(2,6-dimethylanilino)-3-pyridinyl]oxane-4-carboxamide
CID 113017207
N-[6-(4-propan-2-ylanilino)-3-pyridinyl]cyclobutanecarboxamide
CID 113017854
N-[6-(3-fluoroanilino)-3-pyridinyl]cyclopropanecarboxamide
CID 113021257
N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]cyclobutanecarboxamide
CID 113017694
methyl N-[5-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]carbamate
CID 113036278
3-methyl-N-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]butanamide
CID 113018002
N-[5-(2,6-dichloroanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113036819
N-[2,6-di(propan-2-yl)phenyl]cyclohexanecarboxamide
CID 729635

Frequently Asked Questions

What is the IUPAC name of N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]cyclopropanecarboxamide (CID 113021701) is N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]cyclopropanecarboxamide is CC(C)c1cccc(C(C)C)c1Nc1ccc(NC(=O)C2CC2)cn1.
What is the InChIKey of N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]cyclopropanecarboxamide?
The InChIKey is UHOCTQRLZRCQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-13(2)17-6-5-7-18(14(3)4)20(17)24-19-11-10-16(12-22-19)23-21(25)15-8-9-15/h5-7,10-15H,8-9H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]cyclopropanecarboxamide?
N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]cyclopropanecarboxamide has a molecular weight of 337.47 g/mol, XLogP of 5.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 113021701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).