N-[2,6-di(propan-2-yl)phenyl]-4-(propylamino)pyridine-2-carboxamide

C21H29N3O — CID 109201269

IUPACN-[2,6-di(propan-2-yl)phenyl]-4-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccnc(C(=O)Nc2c(C(C)C)cccc2C(C)C)c1
InChIInChI=1S/C21H29N3O/c1-6-11-22-16-10-12-23-19(13-16)21(25)24-20-17(14(2)3)8-7-9-18(20)15(4)5/h7-10,12-15H,6,11H2,1-5H3,(H,22,23)(H,24,25)
InChIKeySZUHQDPZBGMPIX-UHFFFAOYSA-N
MW339.48 g/mol
LogP5.40
Rot. Bonds7

About N-[2,6-di(propan-2-yl)phenyl]-4-(propylamino)pyridine-2-carboxamide

N-[2,6-di(propan-2-yl)phenyl]-4-(propylamino)pyridine-2-carboxamide (PubChem CID 109201269) 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]-4-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-4-(propylamino)pyridine-2-carboxamide
PubChem CID109201269
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-4-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccnc(C(=O)Nc2c(C(C)C)cccc2C(C)C)c1
InChIInChI=1S/C21H29N3O/c1-6-11-22-16-10-12-23-19(13-16)21(25)24-20-17(14(2)3)8-7-9-18(20)15(4)5/h7-10,12-15H,6,11H2,1-5H3,(H,22,23)(H,24,25)
InChIKeySZUHQDPZBGMPIX-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-propan-2-ylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 109201226
N-[2,6-di(propan-2-yl)phenyl]-5-(propylamino)pyridine-2-carboxamide
CID 109179407
N-(2,6-difluorophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62165268
4-[2-(dimethylamino)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109207358
N-(3-iodophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 63499869
4-(propylamino)-N-pyridin-2-ylpyridine-2-carboxamide
CID 55042694
N-pentan-2-yl-4-(propylamino)pyridine-2-carboxamide
CID 62185598
N-(2-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62166215
N-(2-ethoxyphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 109201237
N-(3,4-dimethylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62173356
4-(2-phenylethylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109213682
N-(4-acetylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 109201249

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-4-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-4-(propylamino)pyridine-2-carboxamide (CID 109201269) is N-[2,6-di(propan-2-yl)phenyl]-4-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-4-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-4-(propylamino)pyridine-2-carboxamide is CCCNc1ccnc(C(=O)Nc2c(C(C)C)cccc2C(C)C)c1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-4-(propylamino)pyridine-2-carboxamide?
The InChIKey is SZUHQDPZBGMPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-6-11-22-16-10-12-23-19(13-16)21(25)24-20-17(14(2)3)8-7-9-18(20)15(4)5/h7-10,12-15H,6,11H2,1-5H3,(H,22,23)(H,24,25).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-4-(propylamino)pyridine-2-carboxamide?
N-[2,6-di(propan-2-yl)phenyl]-4-(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]-4-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109201269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).