5-(4-tert-butylanilino)-N-propylpyridine-3-carboxamide

C19H25N3O — CID 109222873

IUPAC5-(4-tert-butylanilino)-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1cncc(Nc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C19H25N3O/c1-5-10-21-18(23)14-11-17(13-20-12-14)22-16-8-6-15(7-9-16)19(2,3)4/h6-9,11-13,22H,5,10H2,1-4H3,(H,21,23)
InChIKeyZDUJOKAFKJWYSC-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.26
Rot. Bonds5

About 5-(4-tert-butylanilino)-N-propylpyridine-3-carboxamide

5-(4-tert-butylanilino)-N-propylpyridine-3-carboxamide (PubChem CID 109222873) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 5-(4-tert-butylanilino)-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-tert-butylanilino)-N-propylpyridine-3-carboxamide
PubChem CID109222873
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name5-(4-tert-butylanilino)-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1cncc(Nc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C19H25N3O/c1-5-10-21-18(23)14-11-17(13-20-12-14)22-16-8-6-15(7-9-16)19(2,3)4/h6-9,11-13,22H,5,10H2,1-4H3,(H,21,23)
InChIKeyZDUJOKAFKJWYSC-UHFFFAOYSA-N
XLogP4.26
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-(4-tert-butylphenyl)-3-N-propylpyridine-3,5-dicarboxamide
CID 109101242
5-(4-tert-butylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109242026
5-(4-tert-butylanilino)-N-cyclopentylpyridine-3-carboxamide
CID 109225984
3-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 47231705
5-(butylamino)-N-propylpyridine-3-carboxamide
CID 109222762
5-[4-(4-methylpiperazin-1-yl)anilino]-N-propylpyridine-3-carboxamide
CID 109222918
5-[4-chloro-3-(trifluoromethyl)anilino]-N-propylpyridine-3-carboxamide
CID 109222936
5-(4-tert-butylanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 109244078
N-(3-methoxypropyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109228132
5-(2-fluoroanilino)-N-propylpyridine-3-carboxamide
CID 109222874
5-(4-tert-butylanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 109244073
5-[(4-methylphenyl)methylamino]-N-propylpyridine-3-carboxamide
CID 109222786

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylanilino)-N-propylpyridine-3-carboxamide?
The IUPAC name of 5-(4-tert-butylanilino)-N-propylpyridine-3-carboxamide (CID 109222873) is 5-(4-tert-butylanilino)-N-propylpyridine-3-carboxamide.
What is the SMILES notation for 5-(4-tert-butylanilino)-N-propylpyridine-3-carboxamide?
The canonical SMILES for 5-(4-tert-butylanilino)-N-propylpyridine-3-carboxamide is CCCNC(=O)c1cncc(Nc2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 5-(4-tert-butylanilino)-N-propylpyridine-3-carboxamide?
The InChIKey is ZDUJOKAFKJWYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-5-10-21-18(23)14-11-17(13-20-12-14)22-16-8-6-15(7-9-16)19(2,3)4/h6-9,11-13,22H,5,10H2,1-4H3,(H,21,23).
What are the key properties of 5-(4-tert-butylanilino)-N-propylpyridine-3-carboxamide?
5-(4-tert-butylanilino)-N-propylpyridine-3-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylanilino)-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 109222873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).