N-(3-acetamidophenyl)-4-(butan-2-ylamino)pyridine-2-carboxamide

C18H22N4O2 — CID 109203563

IUPACN-(3-acetamidophenyl)-4-(butan-2-ylamino)pyridine-2-carboxamide
SMILESCCC(C)Nc1ccnc(C(=O)Nc2cccc(NC(C)=O)c2)c1
InChIInChI=1S/C18H22N4O2/c1-4-12(2)20-16-8-9-19-17(11-16)18(24)22-15-7-5-6-14(10-15)21-13(3)23/h5-12H,4H2,1-3H3,(H,19,20)(H,21,23)(H,22,24)
InChIKeyUAXHDVNLAIBDSR-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.50
Rot. Bonds6

About N-(3-acetamidophenyl)-4-(butan-2-ylamino)pyridine-2-carboxamide

N-(3-acetamidophenyl)-4-(butan-2-ylamino)pyridine-2-carboxamide (PubChem CID 109203563) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-4-(butan-2-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-4-(butan-2-ylamino)pyridine-2-carboxamide
PubChem CID109203563
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-(3-acetamidophenyl)-4-(butan-2-ylamino)pyridine-2-carboxamide
SMILESCCC(C)Nc1ccnc(C(=O)Nc2cccc(NC(C)=O)c2)c1
InChIInChI=1S/C18H22N4O2/c1-4-12(2)20-16-8-9-19-17(11-16)18(24)22-15-7-5-6-14(10-15)21-13(3)23/h5-12H,4H2,1-3H3,(H,19,20)(H,21,23)(H,22,24)
InChIKeyUAXHDVNLAIBDSR-UHFFFAOYSA-N
XLogP3.50
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(butan-2-ylamino)-N-phenylpyridine-2-carboxamide
CID 109203508
4-(butan-2-ylamino)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide
CID 109203600
4-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109203446
2-N-(3-acetamidophenyl)-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079698
4-(butan-2-ylamino)-N-(2,4-difluorophenyl)pyridine-2-carboxamide
CID 109203590
N-(3-acetamidophenyl)-4-(cyclopropylamino)pyridine-2-carboxamide
CID 109202020
4-(butan-2-ylamino)-N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide
CID 109203542
4-(butan-2-ylamino)-N-prop-2-enylpyridine-2-carboxamide
CID 109202076
N-(3-acetamidophenyl)-4-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide
CID 109211921
4-(butan-2-ylamino)-N-cyclohexylpyridine-2-carboxamide
CID 109203427
4-N-(3-acetylphenyl)-2-N-butan-2-ylpyridine-2,4-dicarboxamide
CID 109080259
N-(3-acetamidophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208668

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-4-(butan-2-ylamino)pyridine-2-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-4-(butan-2-ylamino)pyridine-2-carboxamide (CID 109203563) is N-(3-acetamidophenyl)-4-(butan-2-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-4-(butan-2-ylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-4-(butan-2-ylamino)pyridine-2-carboxamide is CCC(C)Nc1ccnc(C(=O)Nc2cccc(NC(C)=O)c2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-4-(butan-2-ylamino)pyridine-2-carboxamide?
The InChIKey is UAXHDVNLAIBDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-4-12(2)20-16-8-9-19-17(11-16)18(24)22-15-7-5-6-14(10-15)21-13(3)23/h5-12H,4H2,1-3H3,(H,19,20)(H,21,23)(H,22,24).
What are the key properties of N-(3-acetamidophenyl)-4-(butan-2-ylamino)pyridine-2-carboxamide?
N-(3-acetamidophenyl)-4-(butan-2-ylamino)pyridine-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-4-(butan-2-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109203563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).