2-(butan-2-ylamino)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide

C19H25N3O2 — CID 109165938

IUPAC2-(butan-2-ylamino)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
SMILESCCC(C)Nc1cc(C(=O)Nc2ccc(OC(C)C)cc2)ccn1
InChIInChI=1S/C19H25N3O2/c1-5-14(4)21-18-12-15(10-11-20-18)19(23)22-16-6-8-17(9-7-16)24-13(2)3/h6-14H,5H2,1-4H3,(H,20,21)(H,22,23)
InChIKeyLPGVBNUOEAFUSW-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.33
Rot. Bonds7

About 2-(butan-2-ylamino)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide

2-(butan-2-ylamino)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide (PubChem CID 109165938) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
PubChem CID109165938
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-(butan-2-ylamino)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
SMILESCCC(C)Nc1cc(C(=O)Nc2ccc(OC(C)C)cc2)ccn1
InChIInChI=1S/C19H25N3O2/c1-5-14(4)21-18-12-15(10-11-20-18)19(23)22-16-6-8-17(9-7-16)24-13(2)3/h6-14H,5H2,1-4H3,(H,20,21)(H,22,23)
InChIKeyLPGVBNUOEAFUSW-UHFFFAOYSA-N
XLogP4.33
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[2-(butan-2-ylamino)pyridine-4-carbonyl]amino]benzoate
CID 109165944
N-butan-2-yl-2-(4-propan-2-yloxyanilino)pyridine-4-carboxamide
CID 109165854
2-(butan-2-ylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide
CID 109165951
2-[4-(dimethylamino)anilino]-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109178298
methyl 2-(butan-2-ylamino)pyridine-4-carboxylate
CID 68814423
methyl 2-[[(2S)-butan-2-yl]amino]pyridine-4-carboxylate
CID 68814422
2-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109168784
2-(butan-2-ylamino)pyridine-4-carboxamide
CID 131204108
5-N-butan-2-yl-3-N-(4-propan-2-yloxyphenyl)pyridine-3,5-dicarboxamide
CID 109102415
2-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109176065
2-(butan-2-ylamino)-N-butylpyridine-4-carboxamide
CID 109165401
2-N-(2-methoxyethyl)-4-N-(4-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide
CID 109082428

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(butan-2-ylamino)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide (CID 109165938) is 2-(butan-2-ylamino)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide is CCC(C)Nc1cc(C(=O)Nc2ccc(OC(C)C)cc2)ccn1.
What is the InChIKey of 2-(butan-2-ylamino)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide?
The InChIKey is LPGVBNUOEAFUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-5-14(4)21-18-12-15(10-11-20-18)19(23)22-16-6-8-17(9-7-16)24-13(2)3/h6-14H,5H2,1-4H3,(H,20,21)(H,22,23).
What are the key properties of 2-(butan-2-ylamino)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide?
2-(butan-2-ylamino)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109165938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).