N-[2,6-di(propan-2-yl)phenyl]-5-(propylamino)pyridine-2-carboxamide

C21H29N3O — CID 109179407

IUPACN-[2,6-di(propan-2-yl)phenyl]-5-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccc(C(=O)Nc2c(C(C)C)cccc2C(C)C)nc1
InChIInChI=1S/C21H29N3O/c1-6-12-22-16-10-11-19(23-13-16)21(25)24-20-17(14(2)3)8-7-9-18(20)15(4)5/h7-11,13-15,22H,6,12H2,1-5H3,(H,24,25)
InChIKeyCDCRQRTWTLOWDO-UHFFFAOYSA-N
MW339.48 g/mol
LogP5.40
Rot. Bonds7

About N-[2,6-di(propan-2-yl)phenyl]-5-(propylamino)pyridine-2-carboxamide

N-[2,6-di(propan-2-yl)phenyl]-5-(propylamino)pyridine-2-carboxamide (PubChem CID 109179407) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-5-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-5-(propylamino)pyridine-2-carboxamide
PubChem CID109179407
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-5-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccc(C(=O)Nc2c(C(C)C)cccc2C(C)C)nc1
InChIInChI=1S/C21H29N3O/c1-6-12-22-16-10-11-19(23-13-16)21(25)24-20-17(14(2)3)8-7-9-18(20)15(4)5/h7-11,13-15,22H,6,12H2,1-5H3,(H,24,25)
InChIKeyCDCRQRTWTLOWDO-UHFFFAOYSA-N
XLogP5.40
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-4-(propylamino)pyridine-2-carboxamide
CID 109201269
5-(2-methyl-6-propan-2-ylanilino)-N-propylpyridine-2-carboxamide
CID 109179150
N-butan-2-yl-5-(propylamino)pyridine-2-carboxamide
CID 109179241
N-(3-fluorophenyl)-5-(propylamino)pyridine-2-carboxamide
CID 109179399
N-(2,6-difluorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195715
N-(2,6-dichlorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195704
N-(3-chloro-2-methylphenyl)-5-(propylamino)pyridine-2-carboxamide
CID 109179356
5-(2-phenylethylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109191897
N-(2-propan-2-yloxyethyl)-5-(propylamino)pyridine-2-carboxamide
CID 104765582
N-(1-methylpyrazol-4-yl)-5-(propylamino)pyridine-2-carboxamide
CID 104640241
N-(2-bromo-3-methylphenyl)-5-(propylamino)pyridine-2-carboxamide
CID 104641911
5-(propylamino)-N-thiophen-3-ylpyridine-2-carboxamide
CID 104641679

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-5-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-5-(propylamino)pyridine-2-carboxamide (CID 109179407) is N-[2,6-di(propan-2-yl)phenyl]-5-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-5-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-5-(propylamino)pyridine-2-carboxamide is CCCNc1ccc(C(=O)Nc2c(C(C)C)cccc2C(C)C)nc1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-5-(propylamino)pyridine-2-carboxamide?
The InChIKey is CDCRQRTWTLOWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-6-12-22-16-10-11-19(23-13-16)21(25)24-20-17(14(2)3)8-7-9-18(20)15(4)5/h7-11,13-15,22H,6,12H2,1-5H3,(H,24,25).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-5-(propylamino)pyridine-2-carboxamide?
N-[2,6-di(propan-2-yl)phenyl]-5-(propylamino)pyridine-2-carboxamide has a molecular weight of 339.48 g/mol, XLogP of 5.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-5-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109179407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).