2-[ethyl(piperidin-2-ylmethyl)amino]-5-nitropyridine-3-carbonitrile

C14H19N5O2 — CID 106641549

IUPAC2-[ethyl(piperidin-2-ylmethyl)amino]-5-nitropyridine-3-carbonitrile
SMILESCCN(CC1CCCCN1)c1ncc([N+](=O)[O-])cc1C#N
InChIInChI=1S/C14H19N5O2/c1-2-18(10-12-5-3-4-6-16-12)14-11(8-15)7-13(9-17-14)19(20)21/h7,9,12,16H,2-6,10H2,1H3
InChIKeyJDPJTWOMGMEZKP-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.83
Rot. Bonds5

About 2-[ethyl(piperidin-2-ylmethyl)amino]-5-nitropyridine-3-carbonitrile

2-[ethyl(piperidin-2-ylmethyl)amino]-5-nitropyridine-3-carbonitrile (PubChem CID 106641549) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[ethyl(piperidin-2-ylmethyl)amino]-5-nitropyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[ethyl(piperidin-2-ylmethyl)amino]-5-nitropyridine-3-carbonitrile
PubChem CID106641549
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-[ethyl(piperidin-2-ylmethyl)amino]-5-nitropyridine-3-carbonitrile
SMILESCCN(CC1CCCCN1)c1ncc([N+](=O)[O-])cc1C#N
InChIInChI=1S/C14H19N5O2/c1-2-18(10-12-5-3-4-6-16-12)14-11(8-15)7-13(9-17-14)19(20)21/h7,9,12,16H,2-6,10H2,1H3
InChIKeyJDPJTWOMGMEZKP-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

N-ethyl-5-methyl-3-nitro-N-(piperidin-2-ylmethyl)pyridin-2-amine
CID 106641900
3-[ethyl(piperidin-2-ylmethyl)amino]pyridazine-4-carbonitrile
CID 106641792
2-[ethyl(2-hydroxyethyl)amino]-5-nitropyridine-3-carbonitrile
CID 60678518
2-[ethyl(piperidin-3-yl)amino]-5-nitropyridine-3-carbonitrile
CID 63637867
N-ethyl-3-methyl-5-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106641910
N-ethyl-3-fluoro-5-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106641770
5-nitro-2-[piperidin-3-yl(propyl)amino]pyridine-3-carbonitrile
CID 63636490
ethyl 2-[(3-cyano-5-nitro-2-pyridinyl)-ethylamino]acetate
CID 62099895
6-N-ethyl-3-nitro-6-N-(piperidin-2-ylmethyl)pyridine-2,6-diamine
CID 106641902
5-[ethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile
CID 106619532
2-[ethyl(piperidin-2-ylmethyl)amino]-5-fluorobenzonitrile
CID 106641641
3-bromo-N-ethyl-5-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 79719389

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(piperidin-2-ylmethyl)amino]-5-nitropyridine-3-carbonitrile?
The IUPAC name of 2-[ethyl(piperidin-2-ylmethyl)amino]-5-nitropyridine-3-carbonitrile (CID 106641549) is 2-[ethyl(piperidin-2-ylmethyl)amino]-5-nitropyridine-3-carbonitrile.
What is the SMILES notation for 2-[ethyl(piperidin-2-ylmethyl)amino]-5-nitropyridine-3-carbonitrile?
The canonical SMILES for 2-[ethyl(piperidin-2-ylmethyl)amino]-5-nitropyridine-3-carbonitrile is CCN(CC1CCCCN1)c1ncc([N+](=O)[O-])cc1C#N.
What is the InChIKey of 2-[ethyl(piperidin-2-ylmethyl)amino]-5-nitropyridine-3-carbonitrile?
The InChIKey is JDPJTWOMGMEZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-2-18(10-12-5-3-4-6-16-12)14-11(8-15)7-13(9-17-14)19(20)21/h7,9,12,16H,2-6,10H2,1H3.
What are the key properties of 2-[ethyl(piperidin-2-ylmethyl)amino]-5-nitropyridine-3-carbonitrile?
2-[ethyl(piperidin-2-ylmethyl)amino]-5-nitropyridine-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 2-[ethyl(piperidin-2-ylmethyl)amino]-5-nitropyridine-3-carbonitrile is sourced from PubChem (CID 106641549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).