N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methoxypyrimidine-5-carboxamide

C15H20N6O2 — CID 126426673

IUPACN-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methoxypyrimidine-5-carboxamide
SMILESCOc1ncc(C(=O)N[C@@H](C)c2nncn2C2CCCC2)cn1
InChIInChI=1S/C15H20N6O2/c1-10(13-20-18-9-21(13)12-5-3-4-6-12)19-14(22)11-7-16-15(23-2)17-8-11/h7-10,12H,3-6H2,1-2H3,(H,19,22)/t10-/m0/s1
InChIKeyXAFQVKVTMIIEBE-JTQLQIEISA-N
MW316.37 g/mol
LogP1.68
Rot. Bonds5

About N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methoxypyrimidine-5-carboxamide

N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methoxypyrimidine-5-carboxamide (PubChem CID 126426673) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methoxypyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methoxypyrimidine-5-carboxamide
PubChem CID126426673
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC NameN-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methoxypyrimidine-5-carboxamide
SMILESCOc1ncc(C(=O)N[C@@H](C)c2nncn2C2CCCC2)cn1
InChIInChI=1S/C15H20N6O2/c1-10(13-20-18-9-21(13)12-5-3-4-6-12)19-14(22)11-7-16-15(23-2)17-8-11/h7-10,12H,3-6H2,1-2H3,(H,19,22)/t10-/m0/s1
InChIKeyXAFQVKVTMIIEBE-JTQLQIEISA-N
XLogP1.68
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methoxypyrimidine-5-carboxamide
CID 126426674
2-anilino-N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-5-carboxamide
CID 125173992
N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4-pyridin-4-ylbenzamide
CID 68512967
N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-1-methylimidazole-2-carboxamide
CID 124843003
N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 125166249
N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-5-ethylthiophene-3-carboxamide
CID 125174195
1-benzyl-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-carboxamide
CID 118777279
N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methylfuran-3-carboxamide
CID 125162457
acetic acid;3-(2-aminoethoxy)-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 154904698
N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4-oxo-4-phenylbutanamide
CID 118786649
N-cycloheptyl-2-methoxypyrimidine-5-carboxamide
CID 51364566
N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(methanesulfonamido)propanamide
CID 125162500

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methoxypyrimidine-5-carboxamide?
The IUPAC name of N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methoxypyrimidine-5-carboxamide (CID 126426673) is N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methoxypyrimidine-5-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methoxypyrimidine-5-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methoxypyrimidine-5-carboxamide is COc1ncc(C(=O)N[C@@H](C)c2nncn2C2CCCC2)cn1.
What is the InChIKey of N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methoxypyrimidine-5-carboxamide?
The InChIKey is XAFQVKVTMIIEBE-JTQLQIEISA-N. The full InChI is InChI=1S/C15H20N6O2/c1-10(13-20-18-9-21(13)12-5-3-4-6-12)19-14(22)11-7-16-15(23-2)17-8-11/h7-10,12H,3-6H2,1-2H3,(H,19,22)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methoxypyrimidine-5-carboxamide?
N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methoxypyrimidine-5-carboxamide has a molecular weight of 316.37 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methoxypyrimidine-5-carboxamide is sourced from PubChem (CID 126426673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).