2-(cyclopropylmethylamino)-3-nitropyridine-4-carbonitrile

C10H10N4O2 — CID 80718010

IUPAC2-(cyclopropylmethylamino)-3-nitropyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCC2CC2)c1[N+](=O)[O-]
InChIInChI=1S/C10H10N4O2/c11-5-8-3-4-12-10(9(8)14(15)16)13-6-7-1-2-7/h3-4,7H,1-2,6H2,(H,12,13)
InChIKeyCFQFDUCHZQEUMX-UHFFFAOYSA-N
MW218.22 g/mol
LogP1.68
Rot. Bonds4

About 2-(cyclopropylmethylamino)-3-nitropyridine-4-carbonitrile

2-(cyclopropylmethylamino)-3-nitropyridine-4-carbonitrile (PubChem CID 80718010) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-3-nitropyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-3-nitropyridine-4-carbonitrile
PubChem CID80718010
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name2-(cyclopropylmethylamino)-3-nitropyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCC2CC2)c1[N+](=O)[O-]
InChIInChI=1S/C10H10N4O2/c11-5-8-3-4-12-10(9(8)14(15)16)13-6-7-1-2-7/h3-4,7H,1-2,6H2,(H,12,13)
InChIKeyCFQFDUCHZQEUMX-UHFFFAOYSA-N
XLogP1.68
TPSA91.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.68
H-Bond Donors ≤ 51
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

2-(2-bicyclo[2.2.1]heptanylmethylamino)-3-nitropyridine-4-carbonitrile
CID 80712422
2-(1,4-dithian-2-ylmethylamino)-3-nitropyridine-4-carbonitrile
CID 115697143
2-(cyclobutylamino)-3-nitropyridine-4-carbonitrile
CID 80712109
3-nitro-2-(2-piperidin-4-yloxyethylamino)pyridine-4-carbonitrile
CID 82795197
2-[2-(1-methylpiperidin-4-yl)ethylamino]-3-nitropyridine-4-carbonitrile
CID 115697038
3-nitro-2-(1,2,3,4-tetrahydroquinolin-2-ylmethylamino)pyridine-4-carbonitrile
CID 75380583
2-[(2-methoxy-2-methylpropyl)amino]-3-nitropyridine-4-carbonitrile
CID 113257425
2-[2-(3-methylcyclohexyl)ethylamino]-3-nitropyridine-4-carbonitrile
CID 80712425
3-nitro-2-(2-pyrrolidin-2-ylethylamino)pyridine-4-carbonitrile
CID 114794553
3-nitro-2-(pent-4-ynylamino)pyridine-4-carbonitrile
CID 113257427
2-[(3-methyl-2-propan-2-ylbutyl)amino]-3-nitropyridine-4-carbonitrile
CID 102914019
2-[(1-aminocyclobutyl)methylamino]-3-nitropyridine-4-carbonitrile
CID 103354068

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-3-nitropyridine-4-carbonitrile?
The IUPAC name of 2-(cyclopropylmethylamino)-3-nitropyridine-4-carbonitrile (CID 80718010) is 2-(cyclopropylmethylamino)-3-nitropyridine-4-carbonitrile.
What is the SMILES notation for 2-(cyclopropylmethylamino)-3-nitropyridine-4-carbonitrile?
The canonical SMILES for 2-(cyclopropylmethylamino)-3-nitropyridine-4-carbonitrile is N#Cc1ccnc(NCC2CC2)c1[N+](=O)[O-].
What is the InChIKey of 2-(cyclopropylmethylamino)-3-nitropyridine-4-carbonitrile?
The InChIKey is CFQFDUCHZQEUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c11-5-8-3-4-12-10(9(8)14(15)16)13-6-7-1-2-7/h3-4,7H,1-2,6H2,(H,12,13).
What are the key properties of 2-(cyclopropylmethylamino)-3-nitropyridine-4-carbonitrile?
2-(cyclopropylmethylamino)-3-nitropyridine-4-carbonitrile has a molecular weight of 218.22 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-3-nitropyridine-4-carbonitrile is sourced from PubChem (CID 80718010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).