N-butan-2-yl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide

C19H25N3O — CID 109203336

IUPACN-butan-2-yl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide
SMILESCCC(C)NC(=O)c1cc(Nc2ccc(C(C)C)cc2)ccn1
InChIInChI=1S/C19H25N3O/c1-5-14(4)21-19(23)18-12-17(10-11-20-18)22-16-8-6-15(7-9-16)13(2)3/h6-14H,5H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyPQOASFMNPFGSHE-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.48
Rot. Bonds6

About N-butan-2-yl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide

N-butan-2-yl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide (PubChem CID 109203336) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-butan-2-yl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide
PubChem CID109203336
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-butan-2-yl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide
SMILESCCC(C)NC(=O)c1cc(Nc2ccc(C(C)C)cc2)ccn1
InChIInChI=1S/C19H25N3O/c1-5-14(4)21-19(23)18-12-17(10-11-20-18)22-16-8-6-15(7-9-16)13(2)3/h6-14H,5H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyPQOASFMNPFGSHE-UHFFFAOYSA-N
XLogP4.48
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-anilino-N-butan-2-ylpyridine-2-carboxamide
CID 109203318
N-butan-2-yl-4-(4-methoxyanilino)pyridine-2-carboxamide
CID 109203359
N-butan-2-yl-4-(4-piperidin-1-ylanilino)pyridine-2-carboxamide
CID 109203383
N-butan-2-yl-4-(ethylamino)pyridine-2-carboxamide
CID 62171647
N-butan-2-yl-4-(2,4-dichloroanilino)pyridine-2-carboxamide
CID 109203407
N-phenyl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide
CID 109218754
N-butan-2-yl-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109203369
4-(4-fluoroanilino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109220451
N-butan-2-yl-4-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
CID 109203420
N-butan-2-yl-4-(butylamino)pyridine-2-carboxamide
CID 109202657
N-butan-2-yl-4-(2-tert-butylanilino)pyridine-2-carboxamide
CID 109203340
N-butan-2-yl-4-(cyclopentylamino)pyridine-2-carboxamide
CID 109203234

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide?
The IUPAC name of N-butan-2-yl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide (CID 109203336) is N-butan-2-yl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-butan-2-yl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide is CCC(C)NC(=O)c1cc(Nc2ccc(C(C)C)cc2)ccn1.
What is the InChIKey of N-butan-2-yl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide?
The InChIKey is PQOASFMNPFGSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-5-14(4)21-19(23)18-12-17(10-11-20-18)22-16-8-6-15(7-9-16)13(2)3/h6-14H,5H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of N-butan-2-yl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide?
N-butan-2-yl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109203336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).