N-[5-[(2-amino-6-methylpyrimidin-4-yl)amino]-2-pyridinyl]-4-nitrobenzamide

C17H15N7O3 — CID 59458008

IUPACN-[5-[(2-amino-6-methylpyrimidin-4-yl)amino]-2-pyridinyl]-4-nitrobenzamide
SMILESCc1cc(Nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc2)nc(N)n1
InChIInChI=1S/C17H15N7O3/c1-10-8-15(23-17(18)20-10)21-12-4-7-14(19-9-12)22-16(25)11-2-5-13(6-3-11)24(26)27/h2-9H,1H3,(H,19,22,25)(H3,18,20,21,23)
InChIKeyGKBNRCFWWPIBMF-UHFFFAOYSA-N
MW365.35 g/mol
LogP2.67
Rot. Bonds5

About N-[5-[(2-amino-6-methylpyrimidin-4-yl)amino]-2-pyridinyl]-4-nitrobenzamide

N-[5-[(2-amino-6-methylpyrimidin-4-yl)amino]-2-pyridinyl]-4-nitrobenzamide (PubChem CID 59458008) has the molecular formula C17H15N7O3 and a molecular weight of 365.35 g/mol. Its IUPAC name is N-[5-[(2-amino-6-methylpyrimidin-4-yl)amino]-2-pyridinyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[5-[(2-amino-6-methylpyrimidin-4-yl)amino]-2-pyridinyl]-4-nitrobenzamide
PubChem CID59458008
Molecular FormulaC17H15N7O3
Molecular Weight365.35 g/mol
Exact Mass365.12
IUPAC NameN-[5-[(2-amino-6-methylpyrimidin-4-yl)amino]-2-pyridinyl]-4-nitrobenzamide
SMILESCc1cc(Nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc2)nc(N)n1
InChIInChI=1S/C17H15N7O3/c1-10-8-15(23-17(18)20-10)21-12-4-7-14(19-9-12)22-16(25)11-2-5-13(6-3-11)24(26)27/h2-9H,1H3,(H,19,22,25)(H3,18,20,21,23)
InChIKeyGKBNRCFWWPIBMF-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-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]-5-nitropyridine-2-carboxamide
CID 59458006
N-(4-amino-3-methylphenyl)-4-nitrobenzamide
CID 147874410
4-bromo-N-(5-nitro-2-pyridinyl)benzamide
CID 4180609
N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-4-nitrobenzamide
CID 108771190
3-fluoro-5-methyl-N-(5-nitro-2-pyridinyl)benzamide
CID 162519913
4-[(2-amino-6-methylpyrimidin-4-yl)amino]-N-[4-[(6-aminoquinolin-4-yl)amino]phenyl]benzamide
CID 67200918
4-nitro-N-[6-[(4-nitrobenzoyl)amino]-2-pyridinyl]benzamide
CID 4320566
4-chloro-6-methylpyrimidin-2-amine;4-nitrobenzoic acid
CID 139144567
N-(3-amino-4-fluorophenyl)-4-nitrobenzamide
CID 63257606
N-(3,5-dimethylphenyl)-4-nitrobenzamide
CID 2843294
3,5-dimethoxy-N-(5-nitro-2-pyridinyl)benzamide
CID 2862603
N-[5-(3,4-dimethylanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113032108

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-amino-6-methylpyrimidin-4-yl)amino]-2-pyridinyl]-4-nitrobenzamide?
The IUPAC name of N-[5-[(2-amino-6-methylpyrimidin-4-yl)amino]-2-pyridinyl]-4-nitrobenzamide (CID 59458008) is N-[5-[(2-amino-6-methylpyrimidin-4-yl)amino]-2-pyridinyl]-4-nitrobenzamide.
What is the SMILES notation for N-[5-[(2-amino-6-methylpyrimidin-4-yl)amino]-2-pyridinyl]-4-nitrobenzamide?
The canonical SMILES for N-[5-[(2-amino-6-methylpyrimidin-4-yl)amino]-2-pyridinyl]-4-nitrobenzamide is Cc1cc(Nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc2)nc(N)n1.
What is the InChIKey of N-[5-[(2-amino-6-methylpyrimidin-4-yl)amino]-2-pyridinyl]-4-nitrobenzamide?
The InChIKey is GKBNRCFWWPIBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O3/c1-10-8-15(23-17(18)20-10)21-12-4-7-14(19-9-12)22-16(25)11-2-5-13(6-3-11)24(26)27/h2-9H,1H3,(H,19,22,25)(H3,18,20,21,23).
What are the key properties of N-[5-[(2-amino-6-methylpyrimidin-4-yl)amino]-2-pyridinyl]-4-nitrobenzamide?
N-[5-[(2-amino-6-methylpyrimidin-4-yl)amino]-2-pyridinyl]-4-nitrobenzamide 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-[5-[(2-amino-6-methylpyrimidin-4-yl)amino]-2-pyridinyl]-4-nitrobenzamide is sourced from PubChem (CID 59458008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).