cis-(1S,2R)-2-methyl-N-[(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)methyl]cyclopropane-1-carboxamide

C15H16N4O2 — CID 136891759

IUPACcis-(1S,2R)-2-methyl-N-[(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)methyl]cyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@@H]1C(=O)NCc1cc(=O)[nH]c(-c2cccnc2)n1
InChIInChI=1S/C15H16N4O2/c1-9-5-12(9)15(21)17-8-11-6-13(20)19-14(18-11)10-3-2-4-16-7-10/h2-4,6-7,9,12H,5,8H2,1H3,(H,17,21)(H,18,19,20)/t9-,12+/m1/s1
InChIKeyYROPEDZHGPUDLT-SKDRFNHKSA-N
MW284.32 g/mol
LogP1.10
Rot. Bonds4

About cis-(1S,2R)-2-methyl-N-[(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)methyl]cyclopropane-1-carboxamide

cis-(1S,2R)-2-methyl-N-[(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 136891759) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is cis-(1S,2R)-2-methyl-N-[(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-methyl-N-[(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)methyl]cyclopropane-1-carboxamide
PubChem CID136891759
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Namecis-(1S,2R)-2-methyl-N-[(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)methyl]cyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@@H]1C(=O)NCc1cc(=O)[nH]c(-c2cccnc2)n1
InChIInChI=1S/C15H16N4O2/c1-9-5-12(9)15(21)17-8-11-6-13(20)19-14(18-11)10-3-2-4-16-7-10/h2-4,6-7,9,12H,5,8H2,1H3,(H,17,21)(H,18,19,20)/t9-,12+/m1/s1
InChIKeyYROPEDZHGPUDLT-SKDRFNHKSA-N
XLogP1.10
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,2S)-2-methyl-N-[(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 136891760
N-[(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)methyl]pyridine-3-carboxamide
CID 135963145
4-(ethylaminomethyl)-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 135978217
cis-(1S,2R)-2-methyl-N-[(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 136891751
4-methoxy-N-[(1R)-2-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)-1-phenylethyl]cyclohexane-1-carboxamide
CID 136676381
cis-(1S,2R)-2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 95150035
4-[[4-(aminomethyl)piperidin-1-yl]methyl]-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 164663606
2-(2-fluorophenyl)-N-[(1S)-2-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)-1-phenylethyl]acetamide
CID 136682072
3,5-dimethyl-N-[2-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)-1-phenylethyl]-1,2-oxazole-4-carboxamide
CID 136816395
N-[(1S)-3-methylsulfanyl-1-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)propyl]cyclopentanecarboxamide
CID 136850846
4-(methylaminomethyl)-2-(3-methylphenyl)-1H-pyrimidin-6-one
CID 135978433
trans-(1R,2R)-2-methyl-N-pyridin-3-ylcyclopropane-1-carboxamide
CID 131159605

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-methyl-N-[(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-methyl-N-[(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)methyl]cyclopropane-1-carboxamide (CID 136891759) is cis-(1S,2R)-2-methyl-N-[(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-methyl-N-[(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-methyl-N-[(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)methyl]cyclopropane-1-carboxamide is C[C@@H]1C[C@@H]1C(=O)NCc1cc(=O)[nH]c(-c2cccnc2)n1.
What is the InChIKey of cis-(1S,2R)-2-methyl-N-[(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is YROPEDZHGPUDLT-SKDRFNHKSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-9-5-12(9)15(21)17-8-11-6-13(20)19-14(18-11)10-3-2-4-16-7-10/h2-4,6-7,9,12H,5,8H2,1H3,(H,17,21)(H,18,19,20)/t9-,12+/m1/s1.
What are the key properties of cis-(1S,2R)-2-methyl-N-[(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)methyl]cyclopropane-1-carboxamide?
cis-(1S,2R)-2-methyl-N-[(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-methyl-N-[(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 136891759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).