N-methyl-N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide

C17H20N4O — CID 969696

IUPACN-methyl-N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESCN(C(=O)N1CCN(c2ccccn2)CC1)c1ccccc1
InChIInChI=1S/C17H20N4O/c1-19(15-7-3-2-4-8-15)17(22)21-13-11-20(12-14-21)16-9-5-6-10-18-16/h2-10H,11-14H2,1H3
InChIKeyPHZXRTSKKZLQKC-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.46
Rot. Bonds2

About N-methyl-N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide

N-methyl-N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide (PubChem CID 969696) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-methyl-N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide
PubChem CID969696
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-methyl-N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESCN(C(=O)N1CCN(c2ccccn2)CC1)c1ccccc1
InChIInChI=1S/C17H20N4O/c1-19(15-7-3-2-4-8-15)17(22)21-13-11-20(12-14-21)16-9-5-6-10-18-16/h2-10H,11-14H2,1H3
InChIKeyPHZXRTSKKZLQKC-UHFFFAOYSA-N
XLogP2.46
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 5587
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CID 221427
Pyridine-2-azo-p-dimethylaniline
CID 81528
N-(2,4-Difluorophenyl)-4-(2-pyridinyl)-1-piperazineacetamide
CID 3547487
1-(3-Methyl-pyridin-2-YL)-3-phenyl-urea
CID 790718
1-(2-Phenethyl)-4-(2-pyridyl)piperazine
CID 11000026
N-Cyclohexyl-N'-2-pyridinylurea
CID 99760
2-N-phenylpyridine-2,3-diamine
CID 10679091
1,6-Bis(4-(pyridin-2-yl)piperazin-1-yl)hexane
CID 11524350

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-methyl-N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide (CID 969696) is N-methyl-N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-methyl-N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-methyl-N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide is CN(C(=O)N1CCN(c2ccccn2)CC1)c1ccccc1.
What is the InChIKey of N-methyl-N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide?
The InChIKey is PHZXRTSKKZLQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-19(15-7-3-2-4-8-15)17(22)21-13-11-20(12-14-21)16-9-5-6-10-18-16/h2-10H,11-14H2,1H3.
What are the key properties of N-methyl-N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide?
N-methyl-N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 969696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).