N-pentyl-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide

C20H27N3O2 — CID 109217543

IUPACN-pentyl-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide
SMILESCCCCCNC(=O)c1cc(Nc2ccccc2OC(C)C)ccn1
InChIInChI=1S/C20H27N3O2/c1-4-5-8-12-22-20(24)18-14-16(11-13-21-18)23-17-9-6-7-10-19(17)25-15(2)3/h6-7,9-11,13-15H,4-5,8,12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyVXHQOTRWRHWTDO-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.53
Rot. Bonds9

About N-pentyl-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide

N-pentyl-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide (PubChem CID 109217543) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-pentyl-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-pentyl-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide
PubChem CID109217543
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-pentyl-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide
SMILESCCCCCNC(=O)c1cc(Nc2ccccc2OC(C)C)ccn1
InChIInChI=1S/C20H27N3O2/c1-4-5-8-12-22-20(24)18-14-16(11-13-21-18)23-17-9-6-7-10-19(17)25-15(2)3/h6-7,9-11,13-15H,4-5,8,12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyVXHQOTRWRHWTDO-UHFFFAOYSA-N
XLogP4.53
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-pentyl-4-(2-propan-2-yloxyanilino)pyridine-2-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-(3-methoxypropyl)-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109206145
4-(2-fluoroanilino)-N-pentylpyridine-2-carboxamide
CID 109217523
N-[(2-methylphenyl)methyl]-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109209998
4-(2-ethoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109217325
4-(2,3-dimethylanilino)-N-pentylpyridine-2-carboxamide
CID 109217517
2-(2-propan-2-yloxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109295056
4-(2-ethylanilino)-N-propylpyridine-2-carboxamide
CID 109201085
4-(3-acetylanilino)-N-pentylpyridine-2-carboxamide
CID 109217551
N-butyl-4-(2,4-difluoroanilino)pyridine-2-carboxamide
CID 109202632
N-butyl-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109151752
N-(2-propan-2-yloxyphenyl)-4-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109221912
N-[2-(3-chlorophenyl)ethyl]-4-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109218485

Frequently Asked Questions

What is the IUPAC name of N-pentyl-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide?
The IUPAC name of N-pentyl-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide (CID 109217543) is N-pentyl-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-pentyl-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide?
The canonical SMILES for N-pentyl-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide is CCCCCNC(=O)c1cc(Nc2ccccc2OC(C)C)ccn1.
What is the InChIKey of N-pentyl-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide?
The InChIKey is VXHQOTRWRHWTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-4-5-8-12-22-20(24)18-14-16(11-13-21-18)23-17-9-6-7-10-19(17)25-15(2)3/h6-7,9-11,13-15H,4-5,8,12H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-pentyl-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide?
N-pentyl-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 4.53, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109217543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).