4-(3-chloro-4-pyridinyl)-N-(6-methyl-2-pyridinyl)piperazine-1-carboxamide

C16H18ClN5O — CID 75507946

IUPAC4-(3-chloro-4-pyridinyl)-N-(6-methyl-2-pyridinyl)piperazine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCN(c3ccncc3Cl)CC2)n1
InChIInChI=1S/C16H18ClN5O/c1-12-3-2-4-15(19-12)20-16(23)22-9-7-21(8-10-22)14-5-6-18-11-13(14)17/h2-6,11H,7-10H2,1H3,(H,19,20,23)
InChIKeyPXGZAZJONYQXAX-UHFFFAOYSA-N
MW331.81 g/mol
LogP2.79
Rot. Bonds2

About 4-(3-chloro-4-pyridinyl)-N-(6-methyl-2-pyridinyl)piperazine-1-carboxamide

4-(3-chloro-4-pyridinyl)-N-(6-methyl-2-pyridinyl)piperazine-1-carboxamide (PubChem CID 75507946) has the molecular formula C16H18ClN5O and a molecular weight of 331.81 g/mol. Its IUPAC name is 4-(3-chloro-4-pyridinyl)-N-(6-methyl-2-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-4-pyridinyl)-N-(6-methyl-2-pyridinyl)piperazine-1-carboxamide
PubChem CID75507946
Molecular FormulaC16H18ClN5O
Molecular Weight331.81 g/mol
Exact Mass331.12
IUPAC Name4-(3-chloro-4-pyridinyl)-N-(6-methyl-2-pyridinyl)piperazine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCN(c3ccncc3Cl)CC2)n1
InChIInChI=1S/C16H18ClN5O/c1-12-3-2-4-15(19-12)20-16(23)22-9-7-21(8-10-22)14-5-6-18-11-13(14)17/h2-6,11H,7-10H2,1H3,(H,19,20,23)
InChIKeyPXGZAZJONYQXAX-UHFFFAOYSA-N
XLogP2.79
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.81
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chloro-4-pyridinyl)-N-(6-pyrazol-1-yl-3-pyridinyl)piperazine-1-carboxamide
CID 126774893
4-(3-chloro-4-pyridinyl)-N-[2-(2-methoxyethyl)phenyl]piperazine-1-carboxamide
CID 126794330
1-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 133335378
N-(6-methyl-2-pyridinyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 154752851
N-(3-chloro-4-fluorophenyl)-4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide
CID 42111781
N-(3-chloro-4-fluorophenyl)-4-(3-methyl-4-pyridinyl)-1,4-diazepane-1-carboxamide
CID 118068196
N-(4-chlorophenyl)-4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide
CID 50947917
4-(2-chlorophenyl)-N-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 23849763
[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-[(1R)-2,2-dichlorocyclopropyl]methanone
CID 97242539
1-(2-chlorophenyl)-4-(3-chloro-4-pyridinyl)piperazine
CID 133352048
4-(3-chloro-2-pyridinyl)-N-isoquinolin-5-ylpiperazine-1-carboxamide
CID 46182544
4-(2,4-dichlorophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 159848702

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-pyridinyl)-N-(6-methyl-2-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-chloro-4-pyridinyl)-N-(6-methyl-2-pyridinyl)piperazine-1-carboxamide (CID 75507946) is 4-(3-chloro-4-pyridinyl)-N-(6-methyl-2-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chloro-4-pyridinyl)-N-(6-methyl-2-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chloro-4-pyridinyl)-N-(6-methyl-2-pyridinyl)piperazine-1-carboxamide is Cc1cccc(NC(=O)N2CCN(c3ccncc3Cl)CC2)n1.
What is the InChIKey of 4-(3-chloro-4-pyridinyl)-N-(6-methyl-2-pyridinyl)piperazine-1-carboxamide?
The InChIKey is PXGZAZJONYQXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O/c1-12-3-2-4-15(19-12)20-16(23)22-9-7-21(8-10-22)14-5-6-18-11-13(14)17/h2-6,11H,7-10H2,1H3,(H,19,20,23).
What are the key properties of 4-(3-chloro-4-pyridinyl)-N-(6-methyl-2-pyridinyl)piperazine-1-carboxamide?
4-(3-chloro-4-pyridinyl)-N-(6-methyl-2-pyridinyl)piperazine-1-carboxamide has a molecular weight of 331.81 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-pyridinyl)-N-(6-methyl-2-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 75507946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).