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

C26H34N6O — CID 10813278

IUPACN,N-dimethyl-2-[3-[4-(4-methyl-2-pyrrol-1-ylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
SMILESCc1ccc(N2CCN(CCCNc3ncccc3C(=O)N(C)C)CC2)c(-n2cccc2)c1
InChIInChI=1S/C26H34N6O/c1-21-9-10-23(24(20-21)31-14-4-5-15-31)32-18-16-30(17-19-32)13-7-12-28-25-22(8-6-11-27-25)26(33)29(2)3/h4-6,8-11,14-15,20H,7,12-13,16-19H2,1-3H3,(H,27,28)
InChIKeyGVUBVHFFBZGMLV-UHFFFAOYSA-N
MW446.60 g/mol
LogP3.51
Rot. Bonds8

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

N,N-dimethyl-2-[3-[4-(4-methyl-2-pyrrol-1-ylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide (PubChem CID 10813278) has the molecular formula C26H34N6O and a molecular weight of 446.60 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-[4-(4-methyl-2-pyrrol-1-ylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-[4-(4-methyl-2-pyrrol-1-ylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
PubChem CID10813278
Molecular FormulaC26H34N6O
Molecular Weight446.60 g/mol
Exact Mass446.28
IUPAC NameN,N-dimethyl-2-[3-[4-(4-methyl-2-pyrrol-1-ylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
SMILESCc1ccc(N2CCN(CCCNc3ncccc3C(=O)N(C)C)CC2)c(-n2cccc2)c1
InChIInChI=1S/C26H34N6O/c1-21-9-10-23(24(20-21)31-14-4-5-15-31)32-18-16-30(17-19-32)13-7-12-28-25-22(8-6-11-27-25)26(33)29(2)3/h4-6,8-11,14-15,20H,7,12-13,16-19H2,1-3H3,(H,27,28)
InChIKeyGVUBVHFFBZGMLV-UHFFFAOYSA-N
XLogP3.51
TPSA56.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 53.51
H-Bond Donors ≤ 51
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 N,N-dimethyl-2-[3-[4-(4-methyl-2-pyrrol-1-ylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide?
The IUPAC name of N,N-dimethyl-2-[3-[4-(4-methyl-2-pyrrol-1-ylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide (CID 10813278) is N,N-dimethyl-2-[3-[4-(4-methyl-2-pyrrol-1-ylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-[3-[4-(4-methyl-2-pyrrol-1-ylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-2-[3-[4-(4-methyl-2-pyrrol-1-ylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide is Cc1ccc(N2CCN(CCCNc3ncccc3C(=O)N(C)C)CC2)c(-n2cccc2)c1.
What is the InChIKey of N,N-dimethyl-2-[3-[4-(4-methyl-2-pyrrol-1-ylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide?
The InChIKey is GVUBVHFFBZGMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O/c1-21-9-10-23(24(20-21)31-14-4-5-15-31)32-18-16-30(17-19-32)13-7-12-28-25-22(8-6-11-27-25)26(33)29(2)3/h4-6,8-11,14-15,20H,7,12-13,16-19H2,1-3H3,(H,27,28).
What are the key properties of N,N-dimethyl-2-[3-[4-(4-methyl-2-pyrrol-1-ylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide?
N,N-dimethyl-2-[3-[4-(4-methyl-2-pyrrol-1-ylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide has a molecular weight of 446.60 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-[4-(4-methyl-2-pyrrol-1-ylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide is sourced from PubChem (CID 10813278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).