5-[2,6-di(propan-2-yl)anilino]-N-propylpyridine-3-carboxamide

C21H29N3O — CID 109222930

IUPAC5-[2,6-di(propan-2-yl)anilino]-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1cncc(Nc2c(C(C)C)cccc2C(C)C)c1
InChIInChI=1S/C21H29N3O/c1-6-10-23-21(25)16-11-17(13-22-12-16)24-20-18(14(2)3)8-7-9-19(20)15(4)5/h7-9,11-15,24H,6,10H2,1-5H3,(H,23,25)
InChIKeyPOLQUYJDMHKYFZ-UHFFFAOYSA-N
MW339.48 g/mol
LogP5.21
Rot. Bonds7

About 5-[2,6-di(propan-2-yl)anilino]-N-propylpyridine-3-carboxamide

5-[2,6-di(propan-2-yl)anilino]-N-propylpyridine-3-carboxamide (PubChem CID 109222930) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 5-[2,6-di(propan-2-yl)anilino]-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2,6-di(propan-2-yl)anilino]-N-propylpyridine-3-carboxamide
PubChem CID109222930
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name5-[2,6-di(propan-2-yl)anilino]-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1cncc(Nc2c(C(C)C)cccc2C(C)C)c1
InChIInChI=1S/C21H29N3O/c1-6-10-23-21(25)16-11-17(13-22-12-16)24-20-18(14(2)3)8-7-9-19(20)15(4)5/h7-9,11-15,24H,6,10H2,1-5H3,(H,23,25)
InChIKeyPOLQUYJDMHKYFZ-UHFFFAOYSA-N
XLogP5.21
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 ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-propan-2-ylanilino)-N-propylpyridine-3-carboxamide
CID 109222867
N-butyl-5-(2,6-dichloroanilino)pyridine-3-carboxamide
CID 109224520
3-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 47231705
5-(2-fluoroanilino)-N-propylpyridine-3-carboxamide
CID 109222874
N-[(4-fluorophenyl)methyl]-5-(2-methyl-6-propan-2-ylanilino)pyridine-3-carboxamide
CID 109233596
5-(2,3-dichloroanilino)-N-propylpyridine-3-carboxamide
CID 109222945
5-(4-tert-butylanilino)-N-propylpyridine-3-carboxamide
CID 109222873
[5-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 109228524
5-anilino-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109241555
5-(2-methyl-6-propan-2-ylanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228825
5-(2,6-dimethylanilino)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109224826
5-(butylamino)-N-propylpyridine-3-carboxamide
CID 109222762

Frequently Asked Questions

What is the IUPAC name of 5-[2,6-di(propan-2-yl)anilino]-N-propylpyridine-3-carboxamide?
The IUPAC name of 5-[2,6-di(propan-2-yl)anilino]-N-propylpyridine-3-carboxamide (CID 109222930) is 5-[2,6-di(propan-2-yl)anilino]-N-propylpyridine-3-carboxamide.
What is the SMILES notation for 5-[2,6-di(propan-2-yl)anilino]-N-propylpyridine-3-carboxamide?
The canonical SMILES for 5-[2,6-di(propan-2-yl)anilino]-N-propylpyridine-3-carboxamide is CCCNC(=O)c1cncc(Nc2c(C(C)C)cccc2C(C)C)c1.
What is the InChIKey of 5-[2,6-di(propan-2-yl)anilino]-N-propylpyridine-3-carboxamide?
The InChIKey is POLQUYJDMHKYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-6-10-23-21(25)16-11-17(13-22-12-16)24-20-18(14(2)3)8-7-9-19(20)15(4)5/h7-9,11-15,24H,6,10H2,1-5H3,(H,23,25).
What are the key properties of 5-[2,6-di(propan-2-yl)anilino]-N-propylpyridine-3-carboxamide?
5-[2,6-di(propan-2-yl)anilino]-N-propylpyridine-3-carboxamide has a molecular weight of 339.48 g/mol, XLogP of 5.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,6-di(propan-2-yl)anilino]-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 109222930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).