N-cyclopropyl-6-[(4-methoxy-3-nitrophenyl)methylamino]pyridine-3-carboxamide

C17H18N4O4 — CID 167906219

IUPACN-cyclopropyl-6-[(4-methoxy-3-nitrophenyl)methylamino]pyridine-3-carboxamide
SMILESCOc1ccc(CNc2ccc(C(=O)NC3CC3)cn2)cc1[N+](=O)[O-]
InChIInChI=1S/C17H18N4O4/c1-25-15-6-2-11(8-14(15)21(23)24)9-18-16-7-3-12(10-19-16)17(22)20-13-4-5-13/h2-3,6-8,10,13H,4-5,9H2,1H3,(H,18,19)(H,20,22)
InChIKeySVJNCVSVCRJCFA-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.50
Rot. Bonds7

About N-cyclopropyl-6-[(4-methoxy-3-nitrophenyl)methylamino]pyridine-3-carboxamide

N-cyclopropyl-6-[(4-methoxy-3-nitrophenyl)methylamino]pyridine-3-carboxamide (PubChem CID 167906219) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is N-cyclopropyl-6-[(4-methoxy-3-nitrophenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-[(4-methoxy-3-nitrophenyl)methylamino]pyridine-3-carboxamide
PubChem CID167906219
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC NameN-cyclopropyl-6-[(4-methoxy-3-nitrophenyl)methylamino]pyridine-3-carboxamide
SMILESCOc1ccc(CNc2ccc(C(=O)NC3CC3)cn2)cc1[N+](=O)[O-]
InChIInChI=1S/C17H18N4O4/c1-25-15-6-2-11(8-14(15)21(23)24)9-18-16-7-3-12(10-19-16)17(22)20-13-4-5-13/h2-3,6-8,10,13H,4-5,9H2,1H3,(H,18,19)(H,20,22)
InChIKeySVJNCVSVCRJCFA-UHFFFAOYSA-N
XLogP2.50
TPSA106.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

5-fluoro-N-[(4-methoxy-3-nitrophenyl)methyl]pyridin-2-amine
CID 75498230
N-cyclohexyl-4-methoxy-3-nitrobenzamide
CID 711599
N-(4-chlorocyclohexyl)-4-methoxy-3-nitrobenzamide
CID 114297314
6-[(4-cyanophenyl)methylamino]-N-cyclopropylpyridine-3-carboxamide
CID 167759595
1-cyclopropyl-3-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]urea
CID 113043387
N-cyclopropyl-6-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]methylamino]pyridine-3-carboxamide
CID 167933726
4-[(4-methoxy-3-nitrophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509874
methyl 3-[[[5-(cyclopropylcarbamoyl)-2-pyridinyl]amino]methyl]-4-fluorobenzoate
CID 167979420
N-cycloheptyl-5-[(3,4-dimethoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109285915
N-cyclohexyl-2-[(3,4-dimethoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109166273
4-methoxy-3-nitro-N-[(3S)-piperidin-3-yl]benzamide
CID 103866718
1-[6-[(3-fluoro-4-methoxyphenyl)methylamino]-3-pyridinyl]ethanone
CID 167923965

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-[(4-methoxy-3-nitrophenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-6-[(4-methoxy-3-nitrophenyl)methylamino]pyridine-3-carboxamide (CID 167906219) is N-cyclopropyl-6-[(4-methoxy-3-nitrophenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-[(4-methoxy-3-nitrophenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-6-[(4-methoxy-3-nitrophenyl)methylamino]pyridine-3-carboxamide is COc1ccc(CNc2ccc(C(=O)NC3CC3)cn2)cc1[N+](=O)[O-].
What is the InChIKey of N-cyclopropyl-6-[(4-methoxy-3-nitrophenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is SVJNCVSVCRJCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-25-15-6-2-11(8-14(15)21(23)24)9-18-16-7-3-12(10-19-16)17(22)20-13-4-5-13/h2-3,6-8,10,13H,4-5,9H2,1H3,(H,18,19)(H,20,22).
What are the key properties of N-cyclopropyl-6-[(4-methoxy-3-nitrophenyl)methylamino]pyridine-3-carboxamide?
N-cyclopropyl-6-[(4-methoxy-3-nitrophenyl)methylamino]pyridine-3-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-[(4-methoxy-3-nitrophenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 167906219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).