N-[1-[(5-chloro-2-pyridinyl)amino]butan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide

C20H23ClN6O — CID 118917706

IUPACN-[1-[(5-chloro-2-pyridinyl)amino]butan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide
SMILESCCC(CNc1ccc(Cl)cn1)N(C)C(=O)c1cc(C)ccc1-n1nccn1
InChIInChI=1S/C20H23ClN6O/c1-4-16(13-23-19-8-6-15(21)12-22-19)26(3)20(28)17-11-14(2)5-7-18(17)27-24-9-10-25-27/h5-12,16H,4,13H2,1-3H3,(H,22,23)
InChIKeyCNZJGLARGSJYIY-UHFFFAOYSA-N
MW398.90 g/mol
LogP3.59
Rot. Bonds7

About N-[1-[(5-chloro-2-pyridinyl)amino]butan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide

N-[1-[(5-chloro-2-pyridinyl)amino]butan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide (PubChem CID 118917706) has the molecular formula C20H23ClN6O and a molecular weight of 398.90 g/mol. Its IUPAC name is N-[1-[(5-chloro-2-pyridinyl)amino]butan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[1-[(5-chloro-2-pyridinyl)amino]butan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide
PubChem CID118917706
Molecular FormulaC20H23ClN6O
Molecular Weight398.90 g/mol
Exact Mass398.16
IUPAC NameN-[1-[(5-chloro-2-pyridinyl)amino]butan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide
SMILESCCC(CNc1ccc(Cl)cn1)N(C)C(=O)c1cc(C)ccc1-n1nccn1
InChIInChI=1S/C20H23ClN6O/c1-4-16(13-23-19-8-6-15(21)12-22-19)26(3)20(28)17-11-14(2)5-7-18(17)27-24-9-10-25-27/h5-12,16H,4,13H2,1-3H3,(H,22,23)
InChIKeyCNZJGLARGSJYIY-UHFFFAOYSA-N
XLogP3.59
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.90
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

6-[2-[[5-chloro-2-(triazol-2-yl)benzoyl]-methylamino]butylamino]pyridine-3-carboxylic acid
CID 118917724
N-[1-[(5-chloro-2-pyridinyl)amino]butan-2-yl]-N,5-dimethyl-2-morpholin-4-ylbenzamide
CID 118917725
N-[1-[(5-chloro-2-pyridinyl)amino]butan-2-yl]-N,2-dimethyl-5-(triazol-2-yl)pyrimidine-4-carboxamide
CID 131985588
5-chloro-N-methyl-2-(triazol-2-yl)-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]amino]butan-2-yl]benzamide
CID 118917698
N-[(2S)-2-[[5-chloro-2-(triazol-2-yl)benzoyl]-methylamino]butyl]pyridine-2-carboxamide
CID 118917734
N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]butan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide
CID 72700457
N-ethyl-5-methyl-2-pyrazol-1-yl-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]butan-2-yl]benzamide
CID 162592429
N,5-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)oxybutan-2-yl]-2-(triazol-2-yl)benzamide
CID 131985614
5-chloro-N-ethyl-2-(triazol-2-yl)-N-[1-[[5-(trifluoromethyl)pyrazin-2-yl]amino]propan-2-yl]benzamide
CID 137473849
5-chloro-N-methyl-N-[(3S)-1-quinolin-2-ylpentan-3-yl]-2-(triazol-2-yl)benzamide
CID 157142929
N-[1-[(5-chloro-2-pyridinyl)amino]-4-methylpentan-2-yl]-N-methyl-2-phenylbenzamide
CID 131985638
[3-[(5-chloro-2-pyridinyl)amino]piperidin-1-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone
CID 134503179

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-chloro-2-pyridinyl)amino]butan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide?
The IUPAC name of N-[1-[(5-chloro-2-pyridinyl)amino]butan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide (CID 118917706) is N-[1-[(5-chloro-2-pyridinyl)amino]butan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide.
What is the SMILES notation for N-[1-[(5-chloro-2-pyridinyl)amino]butan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide?
The canonical SMILES for N-[1-[(5-chloro-2-pyridinyl)amino]butan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide is CCC(CNc1ccc(Cl)cn1)N(C)C(=O)c1cc(C)ccc1-n1nccn1.
What is the InChIKey of N-[1-[(5-chloro-2-pyridinyl)amino]butan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide?
The InChIKey is CNZJGLARGSJYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN6O/c1-4-16(13-23-19-8-6-15(21)12-22-19)26(3)20(28)17-11-14(2)5-7-18(17)27-24-9-10-25-27/h5-12,16H,4,13H2,1-3H3,(H,22,23).
What are the key properties of N-[1-[(5-chloro-2-pyridinyl)amino]butan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide?
N-[1-[(5-chloro-2-pyridinyl)amino]butan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide has a molecular weight of 398.90 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-chloro-2-pyridinyl)amino]butan-2-yl]-N,5-dimethyl-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 118917706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).