4-amino-2-oxo-N'-(4-propan-2-ylphenyl)-1H-pyridine-3-carboximidamide

C15H18N4O — CID 144713086

IUPAC4-amino-2-oxo-N'-(4-propan-2-ylphenyl)-1H-pyridine-3-carboximidamide
SMILESCC(C)c1ccc(/N=C(\N)c2c(N)cc[nH]c2=O)cc1
InChIInChI=1S/C15H18N4O/c1-9(2)10-3-5-11(6-4-10)19-14(17)13-12(16)7-8-18-15(13)20/h3-9H,1-2H3,(H2,17,19)(H3,16,18,20)
InChIKeyBQHPZRCGKBAHPG-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.12
Rot. Bonds3

About 4-amino-2-oxo-N'-(4-propan-2-ylphenyl)-1H-pyridine-3-carboximidamide

4-amino-2-oxo-N'-(4-propan-2-ylphenyl)-1H-pyridine-3-carboximidamide (PubChem CID 144713086) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-amino-2-oxo-N'-(4-propan-2-ylphenyl)-1H-pyridine-3-carboximidamide.

Molecular Properties

Compound Name4-amino-2-oxo-N'-(4-propan-2-ylphenyl)-1H-pyridine-3-carboximidamide
PubChem CID144713086
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name4-amino-2-oxo-N'-(4-propan-2-ylphenyl)-1H-pyridine-3-carboximidamide
SMILESCC(C)c1ccc(/N=C(\N)c2c(N)cc[nH]c2=O)cc1
InChIInChI=1S/C15H18N4O/c1-9(2)10-3-5-11(6-4-10)19-14(17)13-12(16)7-8-18-15(13)20/h3-9H,1-2H3,(H2,17,19)(H3,16,18,20)
InChIKeyBQHPZRCGKBAHPG-UHFFFAOYSA-N
XLogP2.12
TPSA97.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-(p-toluidino)-N-(cyclohexylmethyl)-3-hydroxyisothiazole-4-carboxamidine
CID 44413976
N-[4-[(2,6-diamino-4,5-dihydropyrimidin-5-yl)methyl]phenyl]acetamide
CID 44344984
5-(4-cyclohexyl-phenylamino)-3-hydroxy-N-isopropyl-isothiazole-4-carboxamidine
CID 44445415
(E)-9-methyl-2-(methylamino)-3-((p-tolylimino)methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 764885
4-amino-2-oxo-N'-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboximidamide
CID 136421547
1-acetyl-N'-[4-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]phenyl]-4-(2,2,2-trifluoroethylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide
CID 137093160
4-(cyclohexylamino)-2-oxo-N'-[4-(2,2,2-trifluoroethyl)phenyl]-1H-pyridine-3-carboximidamide
CID 137152937
N'-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide
CID 137156300
1-acetyl-N'-[4-(3,4-difluorophenyl)phenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide
CID 137161575
1-acetyl-N'-[4-(2,5-difluorophenyl)phenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide
CID 137161577
1-acetyl-N'-[4-(4-fluorophenyl)phenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide
CID 137161590
1-acetyl-4-(cyclopropylmethylamino)-N'-[4-(4-fluorophenyl)phenyl]-3,6-dihydro-2H-pyridine-5-carboximidamide
CID 137161657

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-oxo-N'-(4-propan-2-ylphenyl)-1H-pyridine-3-carboximidamide?
The IUPAC name of 4-amino-2-oxo-N'-(4-propan-2-ylphenyl)-1H-pyridine-3-carboximidamide (CID 144713086) is 4-amino-2-oxo-N'-(4-propan-2-ylphenyl)-1H-pyridine-3-carboximidamide.
What is the SMILES notation for 4-amino-2-oxo-N'-(4-propan-2-ylphenyl)-1H-pyridine-3-carboximidamide?
The canonical SMILES for 4-amino-2-oxo-N'-(4-propan-2-ylphenyl)-1H-pyridine-3-carboximidamide is CC(C)c1ccc(/N=C(\N)c2c(N)cc[nH]c2=O)cc1.
What is the InChIKey of 4-amino-2-oxo-N'-(4-propan-2-ylphenyl)-1H-pyridine-3-carboximidamide?
The InChIKey is BQHPZRCGKBAHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-9(2)10-3-5-11(6-4-10)19-14(17)13-12(16)7-8-18-15(13)20/h3-9H,1-2H3,(H2,17,19)(H3,16,18,20).
What are the key properties of 4-amino-2-oxo-N'-(4-propan-2-ylphenyl)-1H-pyridine-3-carboximidamide?
4-amino-2-oxo-N'-(4-propan-2-ylphenyl)-1H-pyridine-3-carboximidamide has a molecular weight of 270.34 g/mol, XLogP of 2.12, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-oxo-N'-(4-propan-2-ylphenyl)-1H-pyridine-3-carboximidamide is sourced from PubChem (CID 144713086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).