N-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butyl]pyridine-2-carboxamide

C20H27N5O — CID 11501253

IUPACN-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butyl]pyridine-2-carboxamide
SMILESCc1cccc(N2CCN(CCCCNC(=O)c3ccccn3)CC2)n1
InChIInChI=1S/C20H27N5O/c1-17-7-6-9-19(23-17)25-15-13-24(14-16-25)12-5-4-11-22-20(26)18-8-2-3-10-21-18/h2-3,6-10H,4-5,11-16H2,1H3,(H,22,26)
InChIKeyCHWNCWDZWSQLTG-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.12
Rot. Bonds7

About N-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butyl]pyridine-2-carboxamide

N-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butyl]pyridine-2-carboxamide (PubChem CID 11501253) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butyl]pyridine-2-carboxamide
PubChem CID11501253
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC NameN-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butyl]pyridine-2-carboxamide
SMILESCc1cccc(N2CCN(CCCCNC(=O)c3ccccn3)CC2)n1
InChIInChI=1S/C20H27N5O/c1-17-7-6-9-19(23-17)25-15-13-24(14-16-25)12-5-4-11-22-20(26)18-8-2-3-10-21-18/h2-3,6-10H,4-5,11-16H2,1H3,(H,22,26)
InChIKeyCHWNCWDZWSQLTG-UHFFFAOYSA-N
XLogP2.12
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 46901383
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CID 11206949
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CID 44520942
CID 44520942
CID 44520988
CID 44520988
CID 58548181
CID 58548181
CID 58548290
CID 58548290
CID 58548327
CID 58548327
CID 58548381
CID 58548381
CID 58548397
CID 58548397
CID 58548404
CID 58548404
CID 58548412
CID 58548412

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butyl]pyridine-2-carboxamide (CID 11501253) is N-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butyl]pyridine-2-carboxamide is Cc1cccc(N2CCN(CCCCNC(=O)c3ccccn3)CC2)n1.
What is the InChIKey of N-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butyl]pyridine-2-carboxamide?
The InChIKey is CHWNCWDZWSQLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-17-7-6-9-19(23-17)25-15-13-24(14-16-25)12-5-4-11-22-20(26)18-8-2-3-10-21-18/h2-3,6-10H,4-5,11-16H2,1H3,(H,22,26).
What are the key properties of N-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butyl]pyridine-2-carboxamide?
N-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butyl]pyridine-2-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butyl]pyridine-2-carboxamide is sourced from PubChem (CID 11501253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).