2-[3-[4-(2-cyclopropylphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide

C24H33N5O — CID 10621397

IUPAC2-[3-[4-(2-cyclopropylphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2C2CC2)CC1
InChIInChI=1S/C24H33N5O/c1-27(2)24(30)21-8-5-12-25-23(21)26-13-6-14-28-15-17-29(18-16-28)22-9-4-3-7-20(22)19-10-11-19/h3-5,7-9,12,19H,6,10-11,13-18H2,1-2H3,(H,25,26)
InChIKeyGZNDCIYNTSNYLJ-UHFFFAOYSA-N
MW407.56 g/mol
LogP3.29
Rot. Bonds8

About 2-[3-[4-(2-cyclopropylphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide

2-[3-[4-(2-cyclopropylphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 10621397) has the molecular formula C24H33N5O and a molecular weight of 407.56 g/mol. Its IUPAC name is 2-[3-[4-(2-cyclopropylphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[3-[4-(2-cyclopropylphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
PubChem CID10621397
Molecular FormulaC24H33N5O
Molecular Weight407.56 g/mol
Exact Mass407.27
IUPAC Name2-[3-[4-(2-cyclopropylphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2C2CC2)CC1
InChIInChI=1S/C24H33N5O/c1-27(2)24(30)21-8-5-12-25-23(21)26-13-6-14-28-15-17-29(18-16-28)22-9-4-3-7-20(22)19-10-11-19/h3-5,7-9,12,19H,6,10-11,13-18H2,1-2H3,(H,25,26)
InChIKeyGZNDCIYNTSNYLJ-UHFFFAOYSA-N
XLogP3.29
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.29
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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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2-cyclopropylphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-[3-[4-(2-cyclopropylphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide (CID 10621397) is 2-[3-[4-(2-cyclopropylphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-[3-[4-(2-cyclopropylphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-[3-[4-(2-cyclopropylphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide is CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2C2CC2)CC1.
What is the InChIKey of 2-[3-[4-(2-cyclopropylphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is GZNDCIYNTSNYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O/c1-27(2)24(30)21-8-5-12-25-23(21)26-13-6-14-28-15-17-29(18-16-28)22-9-4-3-7-20(22)19-10-11-19/h3-5,7-9,12,19H,6,10-11,13-18H2,1-2H3,(H,25,26).
What are the key properties of 2-[3-[4-(2-cyclopropylphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide?
2-[3-[4-(2-cyclopropylphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 407.56 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2-cyclopropylphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 10621397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).