1-(4-methyl-5-nitro-2-pyridinyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

C18H21N5O3 — CID 133329016

IUPAC1-(4-methyl-5-nitro-2-pyridinyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCc1cc(N2CCC(C(=O)NCc3cccnc3)CC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C18H21N5O3/c1-13-9-17(20-12-16(13)23(25)26)22-7-4-15(5-8-22)18(24)21-11-14-3-2-6-19-10-14/h2-3,6,9-10,12,15H,4-5,7-8,11H2,1H3,(H,21,24)
InChIKeyUIYLJXKEMOFHDC-UHFFFAOYSA-N
MW355.40 g/mol
LogP2.23
Rot. Bonds5

About 1-(4-methyl-5-nitro-2-pyridinyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

1-(4-methyl-5-nitro-2-pyridinyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 133329016) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 1-(4-methyl-5-nitro-2-pyridinyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methyl-5-nitro-2-pyridinyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
PubChem CID133329016
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name1-(4-methyl-5-nitro-2-pyridinyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCc1cc(N2CCC(C(=O)NCc3cccnc3)CC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C18H21N5O3/c1-13-9-17(20-12-16(13)23(25)26)22-7-4-15(5-8-22)18(24)21-11-14-3-2-6-19-10-14/h2-3,6,9-10,12,15H,4-5,7-8,11H2,1H3,(H,21,24)
InChIKeyUIYLJXKEMOFHDC-UHFFFAOYSA-N
XLogP2.23
TPSA101.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 52.23
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 1-(4-methyl-5-nitro-2-pyridinyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide 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

1-(5-bromo-2-nitrophenyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 133453814
1-(6-phenylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 90518966
1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 137273736
1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 133276362
1-(4-methylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3590836
1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 90519455
1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 29133526
1-(2-chloro-4-pyridinyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 133453933
6-[4-(pyridin-3-ylmethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxylic acid
CID 122053589
1-[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 133453880
1-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 1077698
1-(5-nitro-2-piperidin-1-ylbenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 55853197

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-5-nitro-2-pyridinyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-methyl-5-nitro-2-pyridinyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (CID 133329016) is 1-(4-methyl-5-nitro-2-pyridinyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methyl-5-nitro-2-pyridinyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-methyl-5-nitro-2-pyridinyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is Cc1cc(N2CCC(C(=O)NCc3cccnc3)CC2)ncc1[N+](=O)[O-].
What is the InChIKey of 1-(4-methyl-5-nitro-2-pyridinyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is UIYLJXKEMOFHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-13-9-17(20-12-16(13)23(25)26)22-7-4-15(5-8-22)18(24)21-11-14-3-2-6-19-10-14/h2-3,6,9-10,12,15H,4-5,7-8,11H2,1H3,(H,21,24).
What are the key properties of 1-(4-methyl-5-nitro-2-pyridinyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
1-(4-methyl-5-nitro-2-pyridinyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-5-nitro-2-pyridinyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 133329016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).