N-(2-aminoethyl)-1-(5-nitro-2-pyridinyl)piperidine-4-carboxamide

C13H19N5O3 — CID 155385774

IUPACN-(2-aminoethyl)-1-(5-nitro-2-pyridinyl)piperidine-4-carboxamide
SMILESNCCNC(=O)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1
InChIInChI=1S/C13H19N5O3/c14-5-6-15-13(19)10-3-7-17(8-4-10)12-2-1-11(9-16-12)18(20)21/h1-2,9-10H,3-8,14H2,(H,15,19)
InChIKeyRKQGDHSAEREOMC-UHFFFAOYSA-N
MW293.33 g/mol
LogP0.28
Rot. Bonds5

About N-(2-aminoethyl)-1-(5-nitro-2-pyridinyl)piperidine-4-carboxamide

N-(2-aminoethyl)-1-(5-nitro-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 155385774) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(5-nitro-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(5-nitro-2-pyridinyl)piperidine-4-carboxamide
PubChem CID155385774
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC NameN-(2-aminoethyl)-1-(5-nitro-2-pyridinyl)piperidine-4-carboxamide
SMILESNCCNC(=O)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1
InChIInChI=1S/C13H19N5O3/c14-5-6-15-13(19)10-3-7-17(8-4-10)12-2-1-11(9-16-12)18(20)21/h1-2,9-10H,3-8,14H2,(H,15,19)
InChIKeyRKQGDHSAEREOMC-UHFFFAOYSA-N
XLogP0.28
TPSA114.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 50.28
H-Bond Donors ≤ 52
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

1-(5-nitro-2-pyridinyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 34060407
N-methyl-1-(5-nitro-2-pyridinyl)piperidine-4-carboxamide
CID 24567424
N-(2-aminoethyl)-1-[5-(1-sulfanylethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 146555271
1-(5-nitro-2-pyridinyl)piperidine-4-carbaldehyde
CID 62663272
[1-(5-nitro-2-pyridinyl)piperidin-4-yl] propanoate
CID 91212834
(3R)-1-(5-nitro-2-pyridinyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 29105207
[1-(5-nitro-2-pyridinyl)pyrrolidin-3-yl]methanol
CID 62371884
(3R)-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide
CID 30994170
N,N-dimethyl-2-[1-(5-nitro-2-pyridinyl)piperidin-4-yl]ethanamine
CID 59598057
tert-butyl N-[[(3R)-1-(5-nitro-2-pyridinyl)pyrrolidin-3-yl]methyl]carbamate
CID 97174632
1-(5-cyano-2-pyridinyl)-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide
CID 46525465
N-(2-aminoethyl)-1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)piperidine-3-carboxamide
CID 119479939

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(5-nitro-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(5-nitro-2-pyridinyl)piperidine-4-carboxamide (CID 155385774) is N-(2-aminoethyl)-1-(5-nitro-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(5-nitro-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(5-nitro-2-pyridinyl)piperidine-4-carboxamide is NCCNC(=O)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1.
What is the InChIKey of N-(2-aminoethyl)-1-(5-nitro-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is RKQGDHSAEREOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c14-5-6-15-13(19)10-3-7-17(8-4-10)12-2-1-11(9-16-12)18(20)21/h1-2,9-10H,3-8,14H2,(H,15,19).
What are the key properties of N-(2-aminoethyl)-1-(5-nitro-2-pyridinyl)piperidine-4-carboxamide?
N-(2-aminoethyl)-1-(5-nitro-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(5-nitro-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 155385774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).