N-[5-[(4-methylphenyl)methylcarbamoylamino]pentyl]pyridine-2-carboxamide

C20H26N4O2 — CID 169317979

IUPACN-[5-[(4-methylphenyl)methylcarbamoylamino]pentyl]pyridine-2-carboxamide
SMILESCc1ccc(CNC(=O)NCCCCCNC(=O)c2ccccn2)cc1
InChIInChI=1S/C20H26N4O2/c1-16-8-10-17(11-9-16)15-24-20(26)23-14-5-2-4-13-22-19(25)18-7-3-6-12-21-18/h3,6-12H,2,4-5,13-15H2,1H3,(H,22,25)(H2,23,24,26)
InChIKeyNSCZEBKFHYSJRW-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.79
Rot. Bonds9

About N-[5-[(4-methylphenyl)methylcarbamoylamino]pentyl]pyridine-2-carboxamide

N-[5-[(4-methylphenyl)methylcarbamoylamino]pentyl]pyridine-2-carboxamide (PubChem CID 169317979) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[5-[(4-methylphenyl)methylcarbamoylamino]pentyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-methylphenyl)methylcarbamoylamino]pentyl]pyridine-2-carboxamide
PubChem CID169317979
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[5-[(4-methylphenyl)methylcarbamoylamino]pentyl]pyridine-2-carboxamide
SMILESCc1ccc(CNC(=O)NCCCCCNC(=O)c2ccccn2)cc1
InChIInChI=1S/C20H26N4O2/c1-16-8-10-17(11-9-16)15-24-20(26)23-14-5-2-4-13-22-19(25)18-7-3-6-12-21-18/h3,6-12H,2,4-5,13-15H2,1H3,(H,22,25)(H2,23,24,26)
InChIKeyNSCZEBKFHYSJRW-UHFFFAOYSA-N
XLogP2.79
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[6-(pyridine-2-carbonylamino)hexyl]pyridine-2-carboxamide;hydrochloride
CID 54601367
1-[(4-methylphenyl)methyl]-3-pentylurea
CID 3834489
6-(pyridine-2-carbonylamino)hexanoic acid
CID 16792895
N-(9-oxononyl)pyridine-2-carboxamide
CID 130335282
N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide
CID 47160867
N-[(2,5-dimethylphenyl)methyl]pyridine-2-carboxamide
CID 110793358
N-[5-[(4-hydroxyphenyl)methylcarbamoylamino]pentyl]-2-methylbenzamide
CID 170385161
1-benzyl-3-(5-hydroxypentyl)urea
CID 108871315
N-[(4-carbamoylphenyl)methyl]pyridine-2-carboxamide
CID 108743925
N-[(4-ethylsulfonylphenyl)methyl]pyridine-2-carboxamide
CID 110794533
N-[[4-(2-methoxyethoxy)phenyl]methyl]pyridine-2-carboxamide
CID 110793787
N-(3-pyridin-2-ylpropyl)pyridine-2-carboxamide
CID 110660927

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-methylphenyl)methylcarbamoylamino]pentyl]pyridine-2-carboxamide?
The IUPAC name of N-[5-[(4-methylphenyl)methylcarbamoylamino]pentyl]pyridine-2-carboxamide (CID 169317979) is N-[5-[(4-methylphenyl)methylcarbamoylamino]pentyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[5-[(4-methylphenyl)methylcarbamoylamino]pentyl]pyridine-2-carboxamide?
The canonical SMILES for N-[5-[(4-methylphenyl)methylcarbamoylamino]pentyl]pyridine-2-carboxamide is Cc1ccc(CNC(=O)NCCCCCNC(=O)c2ccccn2)cc1.
What is the InChIKey of N-[5-[(4-methylphenyl)methylcarbamoylamino]pentyl]pyridine-2-carboxamide?
The InChIKey is NSCZEBKFHYSJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-16-8-10-17(11-9-16)15-24-20(26)23-14-5-2-4-13-22-19(25)18-7-3-6-12-21-18/h3,6-12H,2,4-5,13-15H2,1H3,(H,22,25)(H2,23,24,26).
What are the key properties of N-[5-[(4-methylphenyl)methylcarbamoylamino]pentyl]pyridine-2-carboxamide?
N-[5-[(4-methylphenyl)methylcarbamoylamino]pentyl]pyridine-2-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.79, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-methylphenyl)methylcarbamoylamino]pentyl]pyridine-2-carboxamide is sourced from PubChem (CID 169317979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).