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

C19H21N7O — CID 118317054

IUPACN-[(1R,2S)-2-[(5-methylpyrazin-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide
SMILESCc1cnc(N[C@H]2CCC[C@H]2NC(=O)c2ccccc2-n2nccn2)cn1
InChIInChI=1S/C19H21N7O/c1-13-11-21-18(12-20-13)24-15-6-4-7-16(15)25-19(27)14-5-2-3-8-17(14)26-22-9-10-23-26/h2-3,5,8-12,15-16H,4,6-7H2,1H3,(H,21,24)(H,25,27)/t15-,16+/m0/s1
InChIKeyOOQDOVZNNDOIBH-JKSUJKDBSA-N
MW363.43 g/mol
LogP2.13
Rot. Bonds5

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

N-[(1R,2S)-2-[(5-methylpyrazin-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide (PubChem CID 118317054) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is N-[(1R,2S)-2-[(5-methylpyrazin-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-[(5-methylpyrazin-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide
PubChem CID118317054
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC NameN-[(1R,2S)-2-[(5-methylpyrazin-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide
SMILESCc1cnc(N[C@H]2CCC[C@H]2NC(=O)c2ccccc2-n2nccn2)cn1
InChIInChI=1S/C19H21N7O/c1-13-11-21-18(12-20-13)24-15-6-4-7-16(15)25-19(27)14-5-2-3-8-17(14)26-22-9-10-23-26/h2-3,5,8-12,15-16H,4,6-7H2,1H3,(H,21,24)(H,25,27)/t15-,16+/m0/s1
InChIKeyOOQDOVZNNDOIBH-JKSUJKDBSA-N
XLogP2.13
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1S,2S)-2-[[3-chloro-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-2-(triazol-2-yl)benzamide
CID 118308153
5-methyl-N-[(1S,2S)-2-[(5-methylpyrimidin-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide
CID 118317039
5-methyl-N-[(1S,2R)-2-(quinolin-2-ylamino)cyclopentyl]-2-(triazol-2-yl)benzamide
CID 122438908
[(2R,3S)-2-methyl-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 90405036
3-cyclopropyl-N-[(1S,2S)-2-[(5-methylpyrazin-2-yl)amino]cyclopentyl]pyridine-2-carboxamide
CID 118317093
2-chloro-N-[(1S,2S)-2-[(5-methyl-2-pyridinyl)amino]cyclopentyl]benzamide
CID 118317099
N-[(1S,2S)-2-[(3-iodo-4-pyridinyl)carbamothioylamino]cyclopentyl]-2-(triazol-2-yl)benzamide
CID 122438623
N-[(1S,2S)-2-[(6-fluoro-1H-benzimidazol-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide
CID 122691314
[3-[(5-fluoro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 123296473
N-[(1S,2S)-2-[[5-(difluoromethoxy)-2-pyridinyl]amino]-4,4-difluorocyclopentyl]-2-(triazol-2-yl)benzamide
CID 118308214
2-(difluoromethyl)-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide
CID 118308123
[(2R,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 86271584

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-[(5-methylpyrazin-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide?
The IUPAC name of N-[(1R,2S)-2-[(5-methylpyrazin-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide (CID 118317054) is N-[(1R,2S)-2-[(5-methylpyrazin-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide.
What is the SMILES notation for N-[(1R,2S)-2-[(5-methylpyrazin-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide?
The canonical SMILES for N-[(1R,2S)-2-[(5-methylpyrazin-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide is Cc1cnc(N[C@H]2CCC[C@H]2NC(=O)c2ccccc2-n2nccn2)cn1.
What is the InChIKey of N-[(1R,2S)-2-[(5-methylpyrazin-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide?
The InChIKey is OOQDOVZNNDOIBH-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H21N7O/c1-13-11-21-18(12-20-13)24-15-6-4-7-16(15)25-19(27)14-5-2-3-8-17(14)26-22-9-10-23-26/h2-3,5,8-12,15-16H,4,6-7H2,1H3,(H,21,24)(H,25,27)/t15-,16+/m0/s1.
What are the key properties of N-[(1R,2S)-2-[(5-methylpyrazin-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide?
N-[(1R,2S)-2-[(5-methylpyrazin-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide has a molecular weight of 363.43 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-[(5-methylpyrazin-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 118317054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).