N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]-5-nitropyridine-2-carboxamide

C17H15N7O3 — CID 59458006

IUPACN-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]-5-nitropyridine-2-carboxamide
SMILESCc1cc(Nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cn3)cc2)nc(N)n1
InChIInChI=1S/C17H15N7O3/c1-10-8-15(23-17(18)20-10)21-11-2-4-12(5-3-11)22-16(25)14-7-6-13(9-19-14)24(26)27/h2-9H,1H3,(H,22,25)(H3,18,20,21,23)
InChIKeyDYUCFQZZPLGFAJ-UHFFFAOYSA-N
MW365.35 g/mol
LogP2.67
Rot. Bonds5

About N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]-5-nitropyridine-2-carboxamide

N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]-5-nitropyridine-2-carboxamide (PubChem CID 59458006) has the molecular formula C17H15N7O3 and a molecular weight of 365.35 g/mol. Its IUPAC name is N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]-5-nitropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]-5-nitropyridine-2-carboxamide
PubChem CID59458006
Molecular FormulaC17H15N7O3
Molecular Weight365.35 g/mol
Exact Mass365.12
IUPAC NameN-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]-5-nitropyridine-2-carboxamide
SMILESCc1cc(Nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cn3)cc2)nc(N)n1
InChIInChI=1S/C17H15N7O3/c1-10-8-15(23-17(18)20-10)21-11-2-4-12(5-3-11)22-16(25)14-7-6-13(9-19-14)24(26)27/h2-9H,1H3,(H,22,25)(H3,18,20,21,23)
InChIKeyDYUCFQZZPLGFAJ-UHFFFAOYSA-N
XLogP2.67
TPSA148.96 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[5-[(2-amino-6-methylpyrimidin-4-yl)amino]-2-pyridinyl]-4-nitrobenzamide
CID 59458008
5-nitro-N-[4-(pyridin-4-ylamino)phenyl]pyridine-2-carboxamide
CID 157044268
5-(methylamino)-N-(4-nitrophenyl)pyridine-2-carboxamide
CID 104640079
N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-3,5-dinitrobenzamide
CID 121090446
4-[(2-amino-6-methylpyrimidin-4-yl)amino]-N-[4-[[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]carbamoyl]phenyl]benzamide diiodide
CID 24844585
4-[(2-amino-6-methylpyrimidin-4-yl)amino]-N-[4-[(6-aminoquinolin-4-yl)amino]phenyl]benzamide
CID 67200918
6-(5-bromo-2-methylphenyl)-4-N-(4-nitrophenyl)pyrimidine-2,4-diamine
CID 11384005
2-amino-N-(4-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 62788018
N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-nitrobenzamide
CID 121032274
acetonitrile;4-[[2-[(5-nitropyridine-2-carbonyl)amino]acetyl]amino]benzoic acid
CID 144684043
4-chloro-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 121090463
4-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine
CID 80790051

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]-5-nitropyridine-2-carboxamide?
The IUPAC name of N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]-5-nitropyridine-2-carboxamide (CID 59458006) is N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]-5-nitropyridine-2-carboxamide.
What is the SMILES notation for N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]-5-nitropyridine-2-carboxamide?
The canonical SMILES for N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]-5-nitropyridine-2-carboxamide is Cc1cc(Nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cn3)cc2)nc(N)n1.
What is the InChIKey of N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]-5-nitropyridine-2-carboxamide?
The InChIKey is DYUCFQZZPLGFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O3/c1-10-8-15(23-17(18)20-10)21-11-2-4-12(5-3-11)22-16(25)14-7-6-13(9-19-14)24(26)27/h2-9H,1H3,(H,22,25)(H3,18,20,21,23).
What are the key properties of N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]-5-nitropyridine-2-carboxamide?
N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]-5-nitropyridine-2-carboxamide has a molecular weight of 365.35 g/mol, XLogP of 2.67, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]-5-nitropyridine-2-carboxamide is sourced from PubChem (CID 59458006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).