5-nitro-2-[piperidin-3-yl(propyl)amino]pyridine-3-carbonitrile

C14H19N5O2 — CID 63636490

IUPAC5-nitro-2-[piperidin-3-yl(propyl)amino]pyridine-3-carbonitrile
SMILESCCCN(c1ncc([N+](=O)[O-])cc1C#N)C1CCCNC1
InChIInChI=1S/C14H19N5O2/c1-2-6-18(12-4-3-5-16-9-12)14-11(8-15)7-13(10-17-14)19(20)21/h7,10,12,16H,2-6,9H2,1H3
InChIKeyFMNVKAYLMQNUDP-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.83
Rot. Bonds5

About 5-nitro-2-[piperidin-3-yl(propyl)amino]pyridine-3-carbonitrile

5-nitro-2-[piperidin-3-yl(propyl)amino]pyridine-3-carbonitrile (PubChem CID 63636490) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 5-nitro-2-[piperidin-3-yl(propyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-nitro-2-[piperidin-3-yl(propyl)amino]pyridine-3-carbonitrile
PubChem CID63636490
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name5-nitro-2-[piperidin-3-yl(propyl)amino]pyridine-3-carbonitrile
SMILESCCCN(c1ncc([N+](=O)[O-])cc1C#N)C1CCCNC1
InChIInChI=1S/C14H19N5O2/c1-2-6-18(12-4-3-5-16-9-12)14-11(8-15)7-13(10-17-14)19(20)21/h7,10,12,16H,2-6,9H2,1H3
InChIKeyFMNVKAYLMQNUDP-UHFFFAOYSA-N
XLogP1.83
TPSA95.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.83
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'}

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Related Compounds

2-[ethyl(piperidin-3-yl)amino]-5-nitropyridine-3-carbonitrile
CID 63637867
5-nitro-2-[piperidin-3-yl(propyl)amino]benzonitrile
CID 63637009
N-ethyl-5-nitro-N-piperidin-3-ylpyrimidin-2-amine
CID 63638105
N-(2-bromo-4-nitrophenyl)-N-propylpiperidin-3-amine
CID 63637187
N-ethyl-3-methyl-5-nitro-N-pyrrolidin-3-ylpyridin-2-amine
CID 63300013
3-[piperidin-3-yl(propyl)amino]pyrazine-2-carbonitrile
CID 63636497
5-bromo-N-ethyl-3-nitro-N-piperidin-3-ylpyridin-2-amine
CID 63638104
2-[ethyl(piperidin-2-ylmethyl)amino]-5-nitropyridine-3-carbonitrile
CID 106641549
4-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 63304533
3-bromo-N-ethyl-4-methyl-5-nitro-N-piperidin-3-ylpyridin-2-amine
CID 104508226
3,6-dimethyl-N-piperidin-3-yl-N-propylpyrazin-2-amine
CID 63636338
4-N-(3-bromo-5-nitro-2-pyridinyl)-4-N-propylcyclohexane-1,4-diamine
CID 79531137

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-[piperidin-3-yl(propyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 5-nitro-2-[piperidin-3-yl(propyl)amino]pyridine-3-carbonitrile (CID 63636490) is 5-nitro-2-[piperidin-3-yl(propyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-nitro-2-[piperidin-3-yl(propyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-nitro-2-[piperidin-3-yl(propyl)amino]pyridine-3-carbonitrile is CCCN(c1ncc([N+](=O)[O-])cc1C#N)C1CCCNC1.
What is the InChIKey of 5-nitro-2-[piperidin-3-yl(propyl)amino]pyridine-3-carbonitrile?
The InChIKey is FMNVKAYLMQNUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-2-6-18(12-4-3-5-16-9-12)14-11(8-15)7-13(10-17-14)19(20)21/h7,10,12,16H,2-6,9H2,1H3.
What are the key properties of 5-nitro-2-[piperidin-3-yl(propyl)amino]pyridine-3-carbonitrile?
5-nitro-2-[piperidin-3-yl(propyl)amino]pyridine-3-carbonitrile has a molecular weight of 289.34 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-[piperidin-3-yl(propyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 63636490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).