6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-5-nitropyridine-3-carbonitrile

C14H19N5O2 — CID 103471625

IUPAC6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-5-nitropyridine-3-carbonitrile
SMILESCC(CNc1ncc(C#N)cc1[N+](=O)[O-])CN1CCCC1
InChIInChI=1S/C14H19N5O2/c1-11(10-18-4-2-3-5-18)8-16-14-13(19(20)21)6-12(7-15)9-17-14/h6,9,11H,2-5,8,10H2,1H3,(H,16,17)
InChIKeyFZMNCIBGPFGZEP-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.01
Rot. Bonds6

About 6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-5-nitropyridine-3-carbonitrile

6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-5-nitropyridine-3-carbonitrile (PubChem CID 103471625) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-5-nitropyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-5-nitropyridine-3-carbonitrile
PubChem CID103471625
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-5-nitropyridine-3-carbonitrile
SMILESCC(CNc1ncc(C#N)cc1[N+](=O)[O-])CN1CCCC1
InChIInChI=1S/C14H19N5O2/c1-11(10-18-4-2-3-5-18)8-16-14-13(19(20)21)6-12(7-15)9-17-14/h6,9,11H,2-5,8,10H2,1H3,(H,16,17)
InChIKeyFZMNCIBGPFGZEP-UHFFFAOYSA-N
XLogP2.01
TPSA95.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
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'}

Analyze 6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-5-nitropyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-3-nitropyridine-4-carbonitrile
CID 80711380
5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-nitropyridin-2-amine
CID 83266893
6-[(2-ethyl-4-hydroxybutyl)amino]-5-nitropyridine-3-carbonitrile
CID 103471860
6-(cyclobutylmethylamino)-5-nitropyridine-3-carbonitrile
CID 103471221
6-[(1-cyanocyclopropyl)methylamino]-5-nitropyridine-3-carbonitrile
CID 170427998
6-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-nitropyrimidin-4-amine
CID 62994227
6-[(5-cyano-3-nitro-2-pyridinyl)amino]-4-methylhexanoic acid
CID 103469962
5-methyl-3-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-2-amine
CID 79035165
6-[2-(2-methylpropoxy)ethylamino]-5-nitropyridine-3-carbonitrile
CID 103472107
6-[2-(1-methylpiperidin-4-yl)ethylamino]-5-nitropyridine-3-carbonitrile
CID 103472122
4-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-nitroaniline
CID 62994736
2-methyl-6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridine-4-carbonitrile
CID 114766247

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-5-nitropyridine-3-carbonitrile?
The IUPAC name of 6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-5-nitropyridine-3-carbonitrile (CID 103471625) is 6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-5-nitropyridine-3-carbonitrile.
What is the SMILES notation for 6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-5-nitropyridine-3-carbonitrile?
The canonical SMILES for 6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-5-nitropyridine-3-carbonitrile is CC(CNc1ncc(C#N)cc1[N+](=O)[O-])CN1CCCC1.
What is the InChIKey of 6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-5-nitropyridine-3-carbonitrile?
The InChIKey is FZMNCIBGPFGZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-11(10-18-4-2-3-5-18)8-16-14-13(19(20)21)6-12(7-15)9-17-14/h6,9,11H,2-5,8,10H2,1H3,(H,16,17).
What are the key properties of 6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-5-nitropyridine-3-carbonitrile?
6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-5-nitropyridine-3-carbonitrile has a molecular weight of 289.34 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-5-nitropyridine-3-carbonitrile is sourced from PubChem (CID 103471625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).