2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N-methylpyridine-3-carboxamide

C21H29N5O2 — CID 10786203

IUPAC2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1NCCCN1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C21H29N5O2/c1-22-21(27)17-7-5-10-23-20(17)24-11-6-12-25-13-15-26(16-14-25)18-8-3-4-9-19(18)28-2/h3-5,7-10H,6,11-16H2,1-2H3,(H,22,27)(H,23,24)
InChIKeyPFJJZNGLZDAEIU-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.07
Rot. Bonds8

About 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N-methylpyridine-3-carboxamide

2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N-methylpyridine-3-carboxamide (PubChem CID 10786203) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N-methylpyridine-3-carboxamide
PubChem CID10786203
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1NCCCN1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C21H29N5O2/c1-22-21(27)17-7-5-10-23-20(17)24-11-6-12-25-13-15-26(16-14-25)18-8-3-4-9-19(18)28-2/h3-5,7-10H,6,11-16H2,1-2H3,(H,22,27)(H,23,24)
InChIKeyPFJJZNGLZDAEIU-UHFFFAOYSA-N
XLogP2.07
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N-methylpyridine-3-carboxamide (CID 10786203) is 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N-methylpyridine-3-carboxamide is CNC(=O)c1cccnc1NCCCN1CCN(c2ccccc2OC)CC1.
What is the InChIKey of 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N-methylpyridine-3-carboxamide?
The InChIKey is PFJJZNGLZDAEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-22-21(27)17-7-5-10-23-20(17)24-11-6-12-25-13-15-26(16-14-25)18-8-3-4-9-19(18)28-2/h3-5,7-10H,6,11-16H2,1-2H3,(H,22,27)(H,23,24).
What are the key properties of 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N-methylpyridine-3-carboxamide?
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N-methylpyridine-3-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 10786203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).