2-methoxy-N-(3-piperazin-1-ylpropyl)pyridine-3-carboxamide

C14H22N4O2 — CID 62874313

IUPAC2-methoxy-N-(3-piperazin-1-ylpropyl)pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NCCCN1CCNCC1
InChIInChI=1S/C14H22N4O2/c1-20-14-12(4-2-5-17-14)13(19)16-6-3-9-18-10-7-15-8-11-18/h2,4-5,15H,3,6-11H2,1H3,(H,16,19)
InChIKeyYNJKFRWEOQZXHF-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.12
Rot. Bonds6

About 2-methoxy-N-(3-piperazin-1-ylpropyl)pyridine-3-carboxamide

2-methoxy-N-(3-piperazin-1-ylpropyl)pyridine-3-carboxamide (PubChem CID 62874313) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-methoxy-N-(3-piperazin-1-ylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-(3-piperazin-1-ylpropyl)pyridine-3-carboxamide
PubChem CID62874313
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-methoxy-N-(3-piperazin-1-ylpropyl)pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NCCCN1CCNCC1
InChIInChI=1S/C14H22N4O2/c1-20-14-12(4-2-5-17-14)13(19)16-6-3-9-18-10-7-15-8-11-18/h2,4-5,15H,3,6-11H2,1H3,(H,16,19)
InChIKeyYNJKFRWEOQZXHF-UHFFFAOYSA-N
XLogP0.12
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 39541853
N-(3-piperazin-1-ylpropyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 119394322
2-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-3-carboxamide
CID 62874653
2-methoxy-N-(3-piperidin-4-yloxypropyl)pyridine-3-carboxamide
CID 63869445
N-(3-chloropropyl)-2-methoxypyridine-3-carboxamide
CID 62873972
2-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide
CID 134003012
N-(5-hydroxypentyl)-2-methoxypyridine-3-carboxamide
CID 107318362
methyl 2-(3-piperazin-1-ylpropyl)pyridine-3-carboxylate
CID 141006469
4-bromo-2-methoxy-N-(3-piperazin-1-ylpropyl)benzamide
CID 81464328
2-bromo-5-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119390862
2,3-dichloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443287
N-(4-cyanobutyl)-2-methoxypyridine-3-carboxamide
CID 63284776

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(3-piperazin-1-ylpropyl)pyridine-3-carboxamide?
The IUPAC name of 2-methoxy-N-(3-piperazin-1-ylpropyl)pyridine-3-carboxamide (CID 62874313) is 2-methoxy-N-(3-piperazin-1-ylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-methoxy-N-(3-piperazin-1-ylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 2-methoxy-N-(3-piperazin-1-ylpropyl)pyridine-3-carboxamide is COc1ncccc1C(=O)NCCCN1CCNCC1.
What is the InChIKey of 2-methoxy-N-(3-piperazin-1-ylpropyl)pyridine-3-carboxamide?
The InChIKey is YNJKFRWEOQZXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-20-14-12(4-2-5-17-14)13(19)16-6-3-9-18-10-7-15-8-11-18/h2,4-5,15H,3,6-11H2,1H3,(H,16,19).
What are the key properties of 2-methoxy-N-(3-piperazin-1-ylpropyl)pyridine-3-carboxamide?
2-methoxy-N-(3-piperazin-1-ylpropyl)pyridine-3-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(3-piperazin-1-ylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 62874313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).