cis-(1R,2S)-2-[(6-methyl-2-pyridinyl)carbamoylamino]cyclopentane-1-carboxamide

C13H18N4O2 — CID 164634052

IUPACcis-(1R,2S)-2-[(6-methyl-2-pyridinyl)carbamoylamino]cyclopentane-1-carboxamide
SMILESCc1cccc(NC(=O)N[C@H]2CCC[C@H]2C(N)=O)n1
InChIInChI=1S/C13H18N4O2/c1-8-4-2-7-11(15-8)17-13(19)16-10-6-3-5-9(10)12(14)18/h2,4,7,9-10H,3,5-6H2,1H3,(H2,14,18)(H2,15,16,17,19)/t9-,10+/m1/s1
InChIKeyRZYLRYXCTVKVBR-ZJUUUORDSA-N
MW262.31 g/mol
LogP1.17
Rot. Bonds3

About cis-(1R,2S)-2-[(6-methyl-2-pyridinyl)carbamoylamino]cyclopentane-1-carboxamide

cis-(1R,2S)-2-[(6-methyl-2-pyridinyl)carbamoylamino]cyclopentane-1-carboxamide (PubChem CID 164634052) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(6-methyl-2-pyridinyl)carbamoylamino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(6-methyl-2-pyridinyl)carbamoylamino]cyclopentane-1-carboxamide
PubChem CID164634052
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Namecis-(1R,2S)-2-[(6-methyl-2-pyridinyl)carbamoylamino]cyclopentane-1-carboxamide
SMILESCc1cccc(NC(=O)N[C@H]2CCC[C@H]2C(N)=O)n1
InChIInChI=1S/C13H18N4O2/c1-8-4-2-7-11(15-8)17-13(19)16-10-6-3-5-9(10)12(14)18/h2,4,7,9-10H,3,5-6H2,1H3,(H2,14,18)(H2,15,16,17,19)/t9-,10+/m1/s1
InChIKeyRZYLRYXCTVKVBR-ZJUUUORDSA-N
XLogP1.17
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(6-methyl-2-pyridinyl)carbamoylamino]cyclopentane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-[(6-methyl-2-pyridinyl)carbamoylamino]cyclopentane-1-carboxamide (CID 164634052) is cis-(1R,2S)-2-[(6-methyl-2-pyridinyl)carbamoylamino]cyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-[(6-methyl-2-pyridinyl)carbamoylamino]cyclopentane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-[(6-methyl-2-pyridinyl)carbamoylamino]cyclopentane-1-carboxamide is Cc1cccc(NC(=O)N[C@H]2CCC[C@H]2C(N)=O)n1.
What is the InChIKey of cis-(1R,2S)-2-[(6-methyl-2-pyridinyl)carbamoylamino]cyclopentane-1-carboxamide?
The InChIKey is RZYLRYXCTVKVBR-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-8-4-2-7-11(15-8)17-13(19)16-10-6-3-5-9(10)12(14)18/h2,4,7,9-10H,3,5-6H2,1H3,(H2,14,18)(H2,15,16,17,19)/t9-,10+/m1/s1.
What are the key properties of cis-(1R,2S)-2-[(6-methyl-2-pyridinyl)carbamoylamino]cyclopentane-1-carboxamide?
cis-(1R,2S)-2-[(6-methyl-2-pyridinyl)carbamoylamino]cyclopentane-1-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.17, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[(6-methyl-2-pyridinyl)carbamoylamino]cyclopentane-1-carboxamide is sourced from PubChem (CID 164634052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).