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

C23H30N6O2 — CID 10574245

IUPAC5-cyano-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
SMILESCOc1ccccc1N1CCN(CCCNc2ncc(C#N)cc2C(=O)N(C)C)CC1
InChIInChI=1S/C23H30N6O2/c1-27(2)23(30)19-15-18(16-24)17-26-22(19)25-9-6-10-28-11-13-29(14-12-28)20-7-4-5-8-21(20)31-3/h4-5,7-8,15,17H,6,9-14H2,1-3H3,(H,25,26)
InChIKeyKVWRYFZHOACXMA-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.29
Rot. Bonds8

About 5-cyano-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide

5-cyano-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 10574245) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 5-cyano-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-cyano-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
PubChem CID10574245
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC Name5-cyano-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
SMILESCOc1ccccc1N1CCN(CCCNc2ncc(C#N)cc2C(=O)N(C)C)CC1
InChIInChI=1S/C23H30N6O2/c1-27(2)23(30)19-15-18(16-24)17-26-22(19)25-9-6-10-28-11-13-29(14-12-28)20-7-4-5-8-21(20)31-3/h4-5,7-8,15,17H,6,9-14H2,1-3H3,(H,25,26)
InChIKeyKVWRYFZHOACXMA-UHFFFAOYSA-N
XLogP2.29
TPSA84.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 5-cyano-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 5-cyano-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide (CID 10574245) is 5-cyano-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 5-cyano-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 5-cyano-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide is COc1ccccc1N1CCN(CCCNc2ncc(C#N)cc2C(=O)N(C)C)CC1.
What is the InChIKey of 5-cyano-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is KVWRYFZHOACXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2/c1-27(2)23(30)19-15-18(16-24)17-26-22(19)25-9-6-10-28-11-13-29(14-12-28)20-7-4-5-8-21(20)31-3/h4-5,7-8,15,17H,6,9-14H2,1-3H3,(H,25,26).
What are the key properties of 5-cyano-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide?
5-cyano-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 10574245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).