N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide

C20H23N7O — CID 31005909

IUPACN-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCN1CCN(c2ccc(NC(=O)c3ccc(Cn4cncn4)cc3)cn2)CC1
InChIInChI=1S/C20H23N7O/c1-25-8-10-26(11-9-25)19-7-6-18(12-22-19)24-20(28)17-4-2-16(3-5-17)13-27-15-21-14-23-27/h2-7,12,14-15H,8-11,13H2,1H3,(H,24,28)
InChIKeyZEVNDJCTKFRNPS-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.73
Rot. Bonds5

About N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide

N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide (PubChem CID 31005909) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
PubChem CID31005909
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC NameN-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCN1CCN(c2ccc(NC(=O)c3ccc(Cn4cncn4)cc3)cn2)CC1
InChIInChI=1S/C20H23N7O/c1-25-8-10-26(11-9-25)19-7-6-18(12-22-19)24-20(28)17-4-2-16(3-5-17)13-27-15-21-14-23-27/h2-7,12,14-15H,8-11,13H2,1H3,(H,24,28)
InChIKeyZEVNDJCTKFRNPS-UHFFFAOYSA-N
XLogP1.73
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55970456
N-[4-(methylcarbamoyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24603454
N-(4-tert-butylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 51306669
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
CID 30873270
N-[6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 42857326
4-tert-butyl-N-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
CID 42850230
6-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridine-3-carboxamide
CID 26126543
ethyl 4-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]benzoate
CID 42063924
2-(4-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 17444414
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 25396665
N-(3-iodo-4-methylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24590803
5-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazine-2-carboxamide
CID 30548234

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The IUPAC name of N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide (CID 31005909) is N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide is CN1CCN(c2ccc(NC(=O)c3ccc(Cn4cncn4)cc3)cn2)CC1.
What is the InChIKey of N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The InChIKey is ZEVNDJCTKFRNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c1-25-8-10-26(11-9-25)19-7-6-18(12-22-19)24-20(28)17-4-2-16(3-5-17)13-27-15-21-14-23-27/h2-7,12,14-15H,8-11,13H2,1H3,(H,24,28).
What are the key properties of N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide has a molecular weight of 377.45 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide is sourced from PubChem (CID 31005909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).