5-methyl-N-[(1S,2S)-2-[(5-methylpyrimidin-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide

C20H23N7O — CID 118317039

IUPAC5-methyl-N-[(1S,2S)-2-[(5-methylpyrimidin-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide
SMILESCc1cnc(N[C@H]2CCC[C@@H]2NC(=O)c2cc(C)ccc2-n2nccn2)nc1
InChIInChI=1S/C20H23N7O/c1-13-6-7-18(27-23-8-9-24-27)15(10-13)19(28)25-16-4-3-5-17(16)26-20-21-11-14(2)12-22-20/h6-12,16-17H,3-5H2,1-2H3,(H,25,28)(H,21,22,26)/t16-,17-/m0/s1
InChIKeyQELNCGSVEFIQMI-IRXDYDNUSA-N
MW377.45 g/mol
LogP2.44
Rot. Bonds5

About 5-methyl-N-[(1S,2S)-2-[(5-methylpyrimidin-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide

5-methyl-N-[(1S,2S)-2-[(5-methylpyrimidin-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide (PubChem CID 118317039) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is 5-methyl-N-[(1S,2S)-2-[(5-methylpyrimidin-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide.

Molecular Properties

Compound Name5-methyl-N-[(1S,2S)-2-[(5-methylpyrimidin-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide
PubChem CID118317039
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC Name5-methyl-N-[(1S,2S)-2-[(5-methylpyrimidin-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide
SMILESCc1cnc(N[C@H]2CCC[C@@H]2NC(=O)c2cc(C)ccc2-n2nccn2)nc1
InChIInChI=1S/C20H23N7O/c1-13-6-7-18(27-23-8-9-24-27)15(10-13)19(28)25-16-4-3-5-17(16)26-20-21-11-14(2)12-22-20/h6-12,16-17H,3-5H2,1-2H3,(H,25,28)(H,21,22,26)/t16-,17-/m0/s1
InChIKeyQELNCGSVEFIQMI-IRXDYDNUSA-N
XLogP2.44
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2S)-2-aminocyclopentyl]-5-methyl-2-(triazol-2-yl)benzamide;hydrochloride
CID 118326090
5-methyl-N-[(1S,2R)-2-(quinolin-2-ylamino)cyclopentyl]-2-(triazol-2-yl)benzamide
CID 122438908
N-[(1R,2S)-2-[(5-methylpyrazin-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide
CID 118317054
[(2S,3R)-2-methyl-3-[(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 90442581
[(2S,3R)-3-[(5-chloropyrimidin-2-yl)amino]-2-methylpiperidin-1-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone
CID 90404864
[(2R,5R)-2-methyl-5-(pyrimidin-2-ylamino)piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 140566368
[2-methyl-5-(pyrimidin-2-ylamino)piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 67350558
2-chloro-N-[(1S,2S)-2-[(5-methyl-2-pyridinyl)amino]cyclopentyl]benzamide
CID 118317099
N-[(1S,2S)-2-[(5-methyl-2-pyridinyl)amino]cyclopentyl]-3-pyrazol-1-ylpyridine-2-carboxamide
CID 118317129
[(2S)-2-[[(5-fluoropyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 144903031
[2-methyl-3-[[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 90405505
N-[(1S,2S)-2-[[3-chloro-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-2-(triazol-2-yl)benzamide
CID 118308153

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1S,2S)-2-[(5-methylpyrimidin-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide?
The IUPAC name of 5-methyl-N-[(1S,2S)-2-[(5-methylpyrimidin-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide (CID 118317039) is 5-methyl-N-[(1S,2S)-2-[(5-methylpyrimidin-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide.
What is the SMILES notation for 5-methyl-N-[(1S,2S)-2-[(5-methylpyrimidin-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide?
The canonical SMILES for 5-methyl-N-[(1S,2S)-2-[(5-methylpyrimidin-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide is Cc1cnc(N[C@H]2CCC[C@@H]2NC(=O)c2cc(C)ccc2-n2nccn2)nc1.
What is the InChIKey of 5-methyl-N-[(1S,2S)-2-[(5-methylpyrimidin-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide?
The InChIKey is QELNCGSVEFIQMI-IRXDYDNUSA-N. The full InChI is InChI=1S/C20H23N7O/c1-13-6-7-18(27-23-8-9-24-27)15(10-13)19(28)25-16-4-3-5-17(16)26-20-21-11-14(2)12-22-20/h6-12,16-17H,3-5H2,1-2H3,(H,25,28)(H,21,22,26)/t16-,17-/m0/s1.
What are the key properties of 5-methyl-N-[(1S,2S)-2-[(5-methylpyrimidin-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide?
5-methyl-N-[(1S,2S)-2-[(5-methylpyrimidin-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide has a molecular weight of 377.45 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1S,2S)-2-[(5-methylpyrimidin-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 118317039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).