6-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide

C14H21ClN4O — CID 60668368

IUPAC6-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide
SMILESCN1CCN(CCCNC(=O)c2ccc(Cl)nc2)CC1
InChIInChI=1S/C14H21ClN4O/c1-18-7-9-19(10-8-18)6-2-5-16-14(20)12-3-4-13(15)17-11-12/h3-4,11H,2,5-10H2,1H3,(H,16,20)
InChIKeyHJPLIGCIYUWKMG-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.10
Rot. Bonds5

About 6-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide

6-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide (PubChem CID 60668368) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is 6-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide
PubChem CID60668368
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name6-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide
SMILESCN1CCN(CCCNC(=O)c2ccc(Cl)nc2)CC1
InChIInChI=1S/C14H21ClN4O/c1-18-7-9-19(10-8-18)6-2-5-16-14(20)12-3-4-13(15)17-11-12/h3-4,11H,2,5-10H2,1H3,(H,16,20)
InChIKeyHJPLIGCIYUWKMG-UHFFFAOYSA-N
XLogP1.10
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 70906155
N-[3-(4-methylpiperazin-1-yl)propyl]-4-propan-2-ylbenzamide
CID 59186291
4-bromo-3-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 80965947
3,4-dichloro-N-[3-[4-[3-[(3,4-dichlorobenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 3672547
6-chloro-N-[4-[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]butyl]pyridine-3-carboxamide
CID 71658206
3,4-diamino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 18999787
2-N,5-N-bis(3-morpholin-4-ylpropyl)pyridine-2,5-dicarboxamide
CID 4595283
6-chloro-N-(5-methylhexyl)pyridine-3-carboxamide
CID 79003057
6-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridine-3-carboxamide
CID 113237981
2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]furan-3-carboxamide
CID 106686542
3,4-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 110444148
4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119390904

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide (CID 60668368) is 6-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide is CN1CCN(CCCNC(=O)c2ccc(Cl)nc2)CC1.
What is the InChIKey of 6-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide?
The InChIKey is HJPLIGCIYUWKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O/c1-18-7-9-19(10-8-18)6-2-5-16-14(20)12-3-4-13(15)17-11-12/h3-4,11H,2,5-10H2,1H3,(H,16,20).
What are the key properties of 6-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide?
6-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide has a molecular weight of 296.80 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 60668368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).