N,N-dimethyl-2-[3-[4-(2-methylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide

C22H31N5O — CID 10833725

IUPACN,N-dimethyl-2-[3-[4-(2-methylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
SMILESCc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1
InChIInChI=1S/C22H31N5O/c1-18-8-4-5-10-20(18)27-16-14-26(15-17-27)13-7-12-24-21-19(9-6-11-23-21)22(28)25(2)3/h4-6,8-11H,7,12-17H2,1-3H3,(H,23,24)
InChIKeyPLJCELRWRGZCMC-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.72
Rot. Bonds7

About N,N-dimethyl-2-[3-[4-(2-methylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide

N,N-dimethyl-2-[3-[4-(2-methylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide (PubChem CID 10833725) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-[4-(2-methylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-[4-(2-methylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
PubChem CID10833725
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC NameN,N-dimethyl-2-[3-[4-(2-methylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
SMILESCc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1
InChIInChI=1S/C22H31N5O/c1-18-8-4-5-10-20(18)27-16-14-26(15-17-27)13-7-12-24-21-19(9-6-11-23-21)22(28)25(2)3/h4-6,8-11H,7,12-17H2,1-3H3,(H,23,24)
InChIKeyPLJCELRWRGZCMC-UHFFFAOYSA-N
XLogP2.72
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.72
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 N,N-dimethyl-2-[3-[4-(2-methylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide?
The IUPAC name of N,N-dimethyl-2-[3-[4-(2-methylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide (CID 10833725) is N,N-dimethyl-2-[3-[4-(2-methylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-[3-[4-(2-methylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-2-[3-[4-(2-methylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide is Cc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1.
What is the InChIKey of N,N-dimethyl-2-[3-[4-(2-methylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide?
The InChIKey is PLJCELRWRGZCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c1-18-8-4-5-10-20(18)27-16-14-26(15-17-27)13-7-12-24-21-19(9-6-11-23-21)22(28)25(2)3/h4-6,8-11H,7,12-17H2,1-3H3,(H,23,24).
What are the key properties of N,N-dimethyl-2-[3-[4-(2-methylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide?
N,N-dimethyl-2-[3-[4-(2-methylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide has a molecular weight of 381.52 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-[4-(2-methylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide is sourced from PubChem (CID 10833725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).