4-methyl-N-[[4-[methyl(pyridine-4-carbonyl)amino]phenyl]methyl]-2-phenylpiperazine-1-carboxamide

C26H29N5O2 — CID 166210831

IUPAC4-methyl-N-[[4-[methyl(pyridine-4-carbonyl)amino]phenyl]methyl]-2-phenylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)NCc2ccc(N(C)C(=O)c3ccncc3)cc2)C(c2ccccc2)C1
InChIInChI=1S/C26H29N5O2/c1-29-16-17-31(24(19-29)21-6-4-3-5-7-21)26(33)28-18-20-8-10-23(11-9-20)30(2)25(32)22-12-14-27-15-13-22/h3-15,24H,16-19H2,1-2H3,(H,28,33)
InChIKeyMVLOAPIIDPZMRL-UHFFFAOYSA-N
MW443.55 g/mol
LogP3.56
Rot. Bonds5

About 4-methyl-N-[[4-[methyl(pyridine-4-carbonyl)amino]phenyl]methyl]-2-phenylpiperazine-1-carboxamide

4-methyl-N-[[4-[methyl(pyridine-4-carbonyl)amino]phenyl]methyl]-2-phenylpiperazine-1-carboxamide (PubChem CID 166210831) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is 4-methyl-N-[[4-[methyl(pyridine-4-carbonyl)amino]phenyl]methyl]-2-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[[4-[methyl(pyridine-4-carbonyl)amino]phenyl]methyl]-2-phenylpiperazine-1-carboxamide
PubChem CID166210831
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC Name4-methyl-N-[[4-[methyl(pyridine-4-carbonyl)amino]phenyl]methyl]-2-phenylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)NCc2ccc(N(C)C(=O)c3ccncc3)cc2)C(c2ccccc2)C1
InChIInChI=1S/C26H29N5O2/c1-29-16-17-31(24(19-29)21-6-4-3-5-7-21)26(33)28-18-20-8-10-23(11-9-20)30(2)25(32)22-12-14-27-15-13-22/h3-15,24H,16-19H2,1-2H3,(H,28,33)
InChIKeyMVLOAPIIDPZMRL-UHFFFAOYSA-N
XLogP3.56
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[4-[methyl(pyridine-4-carbonyl)amino]phenyl]methyl]-2-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-methyl-N-[[4-[methyl(pyridine-4-carbonyl)amino]phenyl]methyl]-2-phenylpiperazine-1-carboxamide (CID 166210831) is 4-methyl-N-[[4-[methyl(pyridine-4-carbonyl)amino]phenyl]methyl]-2-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[[4-[methyl(pyridine-4-carbonyl)amino]phenyl]methyl]-2-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-methyl-N-[[4-[methyl(pyridine-4-carbonyl)amino]phenyl]methyl]-2-phenylpiperazine-1-carboxamide is CN1CCN(C(=O)NCc2ccc(N(C)C(=O)c3ccncc3)cc2)C(c2ccccc2)C1.
What is the InChIKey of 4-methyl-N-[[4-[methyl(pyridine-4-carbonyl)amino]phenyl]methyl]-2-phenylpiperazine-1-carboxamide?
The InChIKey is MVLOAPIIDPZMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-29-16-17-31(24(19-29)21-6-4-3-5-7-21)26(33)28-18-20-8-10-23(11-9-20)30(2)25(32)22-12-14-27-15-13-22/h3-15,24H,16-19H2,1-2H3,(H,28,33).
What are the key properties of 4-methyl-N-[[4-[methyl(pyridine-4-carbonyl)amino]phenyl]methyl]-2-phenylpiperazine-1-carboxamide?
4-methyl-N-[[4-[methyl(pyridine-4-carbonyl)amino]phenyl]methyl]-2-phenylpiperazine-1-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[4-[methyl(pyridine-4-carbonyl)amino]phenyl]methyl]-2-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 166210831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).