N-(3-methylphenyl)-3-[(pyridine-2-carbonylamino)carbamoyl]piperidine-1-carboxamide

C20H23N5O3 — CID 55837238

IUPACN-(3-methylphenyl)-3-[(pyridine-2-carbonylamino)carbamoyl]piperidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCCC(C(=O)NNC(=O)c3ccccn3)C2)c1
InChIInChI=1S/C20H23N5O3/c1-14-6-4-8-16(12-14)22-20(28)25-11-5-7-15(13-25)18(26)23-24-19(27)17-9-2-3-10-21-17/h2-4,6,8-10,12,15H,5,7,11,13H2,1H3,(H,22,28)(H,23,26)(H,24,27)
InChIKeyBNUUEXOUHRJAOV-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.10
Rot. Bonds3

About N-(3-methylphenyl)-3-[(pyridine-2-carbonylamino)carbamoyl]piperidine-1-carboxamide

N-(3-methylphenyl)-3-[(pyridine-2-carbonylamino)carbamoyl]piperidine-1-carboxamide (PubChem CID 55837238) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-(3-methylphenyl)-3-[(pyridine-2-carbonylamino)carbamoyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-3-[(pyridine-2-carbonylamino)carbamoyl]piperidine-1-carboxamide
PubChem CID55837238
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN-(3-methylphenyl)-3-[(pyridine-2-carbonylamino)carbamoyl]piperidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCCC(C(=O)NNC(=O)c3ccccn3)C2)c1
InChIInChI=1S/C20H23N5O3/c1-14-6-4-8-16(12-14)22-20(28)25-11-5-7-15(13-25)18(26)23-24-19(27)17-9-2-3-10-21-17/h2-4,6,8-10,12,15H,5,7,11,13H2,1H3,(H,22,28)(H,23,26)(H,24,27)
InChIKeyBNUUEXOUHRJAOV-UHFFFAOYSA-N
XLogP2.10
TPSA103.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-N-methyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 47323838
1-N-(3-methylphenyl)-3-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
CID 112838340
3-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817615
(3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 51458679
(3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 9039260
3-N-(2-methoxyphenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817552
3-N-[2-(methylamino)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119501337
1-N-(3-methylphenyl)-3-N-(6-phenylmethoxy-3-pyridinyl)piperidine-1,3-dicarboxamide
CID 55878430
N'-(piperidine-1-carbonyl)pyridine-2-carbohydrazide
CID 141057389
1-N-(3-methylphenyl)-3-N-(2-methylpiperidin-4-yl)piperidine-1,3-dicarboxamide
CID 120602193
1-N-(3-methylphenyl)-3-N-[(1-phenylcyclopentyl)methyl]piperidine-1,3-dicarboxamide
CID 55910670
(3R)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-(pyridine-2-carbonyl)piperidine-1-carboxamide
CID 125157620

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-3-[(pyridine-2-carbonylamino)carbamoyl]piperidine-1-carboxamide?
The IUPAC name of N-(3-methylphenyl)-3-[(pyridine-2-carbonylamino)carbamoyl]piperidine-1-carboxamide (CID 55837238) is N-(3-methylphenyl)-3-[(pyridine-2-carbonylamino)carbamoyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-3-[(pyridine-2-carbonylamino)carbamoyl]piperidine-1-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-3-[(pyridine-2-carbonylamino)carbamoyl]piperidine-1-carboxamide is Cc1cccc(NC(=O)N2CCCC(C(=O)NNC(=O)c3ccccn3)C2)c1.
What is the InChIKey of N-(3-methylphenyl)-3-[(pyridine-2-carbonylamino)carbamoyl]piperidine-1-carboxamide?
The InChIKey is BNUUEXOUHRJAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-14-6-4-8-16(12-14)22-20(28)25-11-5-7-15(13-25)18(26)23-24-19(27)17-9-2-3-10-21-17/h2-4,6,8-10,12,15H,5,7,11,13H2,1H3,(H,22,28)(H,23,26)(H,24,27).
What are the key properties of N-(3-methylphenyl)-3-[(pyridine-2-carbonylamino)carbamoyl]piperidine-1-carboxamide?
N-(3-methylphenyl)-3-[(pyridine-2-carbonylamino)carbamoyl]piperidine-1-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 2.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-3-[(pyridine-2-carbonylamino)carbamoyl]piperidine-1-carboxamide is sourced from PubChem (CID 55837238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).