N-[2-(3,5-dimethyl-2-pyridinyl)ethyl]-3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide

C24H26N8O — CID 166579239

IUPACN-[2-(3,5-dimethyl-2-pyridinyl)ethyl]-3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide
SMILESCc1cnc(CCNC(=O)c2cccc(NCc3nnc(-c4ccncn4)n3C)c2)c(C)c1
InChIInChI=1S/C24H26N8O/c1-16-11-17(2)20(28-13-16)8-10-26-24(33)18-5-4-6-19(12-18)27-14-22-30-31-23(32(22)3)21-7-9-25-15-29-21/h4-7,9,11-13,15,27H,8,10,14H2,1-3H3,(H,26,33)
InChIKeyUFAMEWRGOMKWRO-UHFFFAOYSA-N
MW442.53 g/mol
LogP2.87
Rot. Bonds8

About N-[2-(3,5-dimethyl-2-pyridinyl)ethyl]-3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide

N-[2-(3,5-dimethyl-2-pyridinyl)ethyl]-3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide (PubChem CID 166579239) has the molecular formula C24H26N8O and a molecular weight of 442.53 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-2-pyridinyl)ethyl]-3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-2-pyridinyl)ethyl]-3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide
PubChem CID166579239
Molecular FormulaC24H26N8O
Molecular Weight442.53 g/mol
Exact Mass442.22
IUPAC NameN-[2-(3,5-dimethyl-2-pyridinyl)ethyl]-3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide
SMILESCc1cnc(CCNC(=O)c2cccc(NCc3nnc(-c4ccncn4)n3C)c2)c(C)c1
InChIInChI=1S/C24H26N8O/c1-16-11-17(2)20(28-13-16)8-10-26-24(33)18-5-4-6-19(12-18)27-14-22-30-31-23(32(22)3)21-7-9-25-15-29-21/h4-7,9,11-13,15,27H,8,10,14H2,1-3H3,(H,26,33)
InChIKeyUFAMEWRGOMKWRO-UHFFFAOYSA-N
XLogP2.87
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.53
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(3-ethyl-4-pyridinyl)methyl]-3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide
CID 162366260
3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 166579215
3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]-N-[(2-oxo-1H-pyrazin-3-yl)methyl]benzamide
CID 166579148
N-[(4-methoxyphenyl)methyl]-3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide
CID 162366067
N-(imidazo[1,2-a]pyridin-6-ylmethyl)-3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide
CID 162366229
N-[(2-methoxy-3-pyridinyl)methyl]-3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide
CID 166579062
N-[(2-ethynylphenyl)methyl]-3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide
CID 166874829
N-[2-(1-methylpyrazol-4-yl)propan-2-yl]-3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide
CID 162366110
N-(3,4-dihydro-1H-isochromen-5-ylmethyl)-3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide
CID 166579150
3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]-N-[(1S)-1-pyrazin-2-ylethyl]benzamide
CID 166579002
N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide
CID 166579401
N-[(5-cyano-2-fluorophenyl)methyl]-3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide
CID 166579018

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-2-pyridinyl)ethyl]-3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide?
The IUPAC name of N-[2-(3,5-dimethyl-2-pyridinyl)ethyl]-3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide (CID 166579239) is N-[2-(3,5-dimethyl-2-pyridinyl)ethyl]-3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-2-pyridinyl)ethyl]-3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide?
The canonical SMILES for N-[2-(3,5-dimethyl-2-pyridinyl)ethyl]-3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide is Cc1cnc(CCNC(=O)c2cccc(NCc3nnc(-c4ccncn4)n3C)c2)c(C)c1.
What is the InChIKey of N-[2-(3,5-dimethyl-2-pyridinyl)ethyl]-3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide?
The InChIKey is UFAMEWRGOMKWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O/c1-16-11-17(2)20(28-13-16)8-10-26-24(33)18-5-4-6-19(12-18)27-14-22-30-31-23(32(22)3)21-7-9-25-15-29-21/h4-7,9,11-13,15,27H,8,10,14H2,1-3H3,(H,26,33).
What are the key properties of N-[2-(3,5-dimethyl-2-pyridinyl)ethyl]-3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide?
N-[2-(3,5-dimethyl-2-pyridinyl)ethyl]-3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide has a molecular weight of 442.53 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-2-pyridinyl)ethyl]-3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide is sourced from PubChem (CID 166579239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).