5-[cyclopropyl-[(2-nitrophenyl)methyl]amino]pyridine-2-carbonitrile

C16H14N4O2 — CID 133397299

IUPAC5-[cyclopropyl-[(2-nitrophenyl)methyl]amino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)cn1
InChIInChI=1S/C16H14N4O2/c17-9-13-5-6-15(10-18-13)19(14-7-8-14)11-12-3-1-2-4-16(12)20(21)22/h1-6,10,14H,7-8,11H2
InChIKeyKUEQJZHQZWWZHR-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.03
Rot. Bonds5

About 5-[cyclopropyl-[(2-nitrophenyl)methyl]amino]pyridine-2-carbonitrile

5-[cyclopropyl-[(2-nitrophenyl)methyl]amino]pyridine-2-carbonitrile (PubChem CID 133397299) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-[cyclopropyl-[(2-nitrophenyl)methyl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[cyclopropyl-[(2-nitrophenyl)methyl]amino]pyridine-2-carbonitrile
PubChem CID133397299
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name5-[cyclopropyl-[(2-nitrophenyl)methyl]amino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)cn1
InChIInChI=1S/C16H14N4O2/c17-9-13-5-6-15(10-18-13)19(14-7-8-14)11-12-3-1-2-4-16(12)20(21)22/h1-6,10,14H,7-8,11H2
InChIKeyKUEQJZHQZWWZHR-UHFFFAOYSA-N
XLogP3.03
TPSA83.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-cyclopropyl-N-[(2-nitrophenyl)methyl]pyridin-2-amine
CID 133397265
N-cyclopropyl-6-fluoro-N-[(2-nitrophenyl)methyl]pyridin-2-amine
CID 133397167
5-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-2-carbonitrile
CID 115487615
6-[cyclopropyl-[(2-nitrophenyl)methyl]amino]pyrazine-2-carboxamide
CID 133397339
N-[(2-nitrophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine
CID 71650499
3-[cyclopropyl-(3-nitro-2-pyridinyl)amino]propanenitrile
CID 54997173
4-[[cyclopropyl-(4-methyl-5-nitro-2-pyridinyl)amino]methyl]benzonitrile
CID 133329095
N-benzyl-2-chloro-N-cyclopentyl-5-nitropyrimidin-4-amine
CID 155102558
N-methyl-N-[(2-nitrophenyl)methyl]-1-oxothian-4-amine
CID 75408181
2-[methyl-[(2-nitrophenyl)methyl]amino]benzonitrile
CID 112727031
2-[cyclopropyl-[(2-nitrophenyl)methyl]amino]propanoic acid
CID 119994912
N-[4-[formyl-[(2-nitrophenyl)methyl]amino]phenyl]-N-[(2-nitrophenyl)methyl]formamide
CID 87261695

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl-[(2-nitrophenyl)methyl]amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[cyclopropyl-[(2-nitrophenyl)methyl]amino]pyridine-2-carbonitrile (CID 133397299) is 5-[cyclopropyl-[(2-nitrophenyl)methyl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[cyclopropyl-[(2-nitrophenyl)methyl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[cyclopropyl-[(2-nitrophenyl)methyl]amino]pyridine-2-carbonitrile is N#Cc1ccc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)cn1.
What is the InChIKey of 5-[cyclopropyl-[(2-nitrophenyl)methyl]amino]pyridine-2-carbonitrile?
The InChIKey is KUEQJZHQZWWZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c17-9-13-5-6-15(10-18-13)19(14-7-8-14)11-12-3-1-2-4-16(12)20(21)22/h1-6,10,14H,7-8,11H2.
What are the key properties of 5-[cyclopropyl-[(2-nitrophenyl)methyl]amino]pyridine-2-carbonitrile?
5-[cyclopropyl-[(2-nitrophenyl)methyl]amino]pyridine-2-carbonitrile has a molecular weight of 294.31 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl-[(2-nitrophenyl)methyl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 133397299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).