trans-(1S,3R)-3-N-ethyl-1,2,2-trimethyl-1-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]cyclopentane-1,3-dicarboxamide

C18H28N4O3 — CID 137273891

IUPACtrans-(1S,3R)-3-N-ethyl-1,2,2-trimethyl-1-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]cyclopentane-1,3-dicarboxamide
SMILESCCNC(=O)[C@@H]1CC[C@](C)(C(=O)NCc2nc(C)cc(=O)[nH]2)C1(C)C
InChIInChI=1S/C18H28N4O3/c1-6-19-15(24)12-7-8-18(5,17(12,3)4)16(25)20-10-13-21-11(2)9-14(23)22-13/h9,12H,6-8,10H2,1-5H3,(H,19,24)(H,20,25)(H,21,22,23)/t12-,18+/m0/s1
InChIKeyZLPCOVGFSGRGJW-KPZWWZAWSA-N
MW348.45 g/mol
LogP1.27
Rot. Bonds5

About trans-(1S,3R)-3-N-ethyl-1,2,2-trimethyl-1-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]cyclopentane-1,3-dicarboxamide

trans-(1S,3R)-3-N-ethyl-1,2,2-trimethyl-1-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]cyclopentane-1,3-dicarboxamide (PubChem CID 137273891) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is trans-(1S,3R)-3-N-ethyl-1,2,2-trimethyl-1-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]cyclopentane-1,3-dicarboxamide.

Molecular Properties

Compound Nametrans-(1S,3R)-3-N-ethyl-1,2,2-trimethyl-1-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]cyclopentane-1,3-dicarboxamide
PubChem CID137273891
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Nametrans-(1S,3R)-3-N-ethyl-1,2,2-trimethyl-1-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]cyclopentane-1,3-dicarboxamide
SMILESCCNC(=O)[C@@H]1CC[C@](C)(C(=O)NCc2nc(C)cc(=O)[nH]2)C1(C)C
InChIInChI=1S/C18H28N4O3/c1-6-19-15(24)12-7-8-18(5,17(12,3)4)16(25)20-10-13-21-11(2)9-14(23)22-13/h9,12H,6-8,10H2,1-5H3,(H,19,24)(H,20,25)(H,21,22,23)/t12-,18+/m0/s1
InChIKeyZLPCOVGFSGRGJW-KPZWWZAWSA-N
XLogP1.27
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze trans-(1S,3R)-3-N-ethyl-1,2,2-trimethyl-1-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]cyclopentane-1,3-dicarboxamide with MolForge

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Related Compounds

N~3~,N~3~,1,2,2-pentamethyl-N~1~-{2-[(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)amino]ethyl}-1,3-cyclopentanedicarboxamide
CID 136030024
cis-(1R,3R)-3-N,3-N,1,2,2-pentamethyl-1-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]cyclopentane-1,3-dicarboxamide
CID 135914873
trans-(1R,3S)-3-N,3-N,1,2,2-pentamethyl-1-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]cyclopentane-1,3-dicarboxamide
CID 135914874
trans-(1S,3R)-3-N,3-N,1,2,2-pentamethyl-1-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]cyclopentane-1,3-dicarboxamide
CID 135914875
cis-(1S,3S)-3-N,3-N,1,2,2-pentamethyl-1-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]cyclopentane-1,3-dicarboxamide
CID 135914876
N-[(6-hydroxy-2-methyl-4-pyrimidinyl)methyl]-3-(1-methyl-3-piperidinyl)propanamide
CID 136233453
2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]acetamide
CID 136555727
3,3,5-trimethyl-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]cyclohexane-1-carboxamide
CID 136555750
N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-[(3S)-1-methylpiperidin-3-yl]propanamide
CID 136861478
N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-[(3R)-1-methylpiperidin-3-yl]propanamide
CID 136861479
rac-(1R,3S)-N~3~-ethyl-1,2,2-trimethyl-N~1~-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)methyl]cyclopentane-1,3-dicarboxamide
CID 136998393
6-{[4-(Cyclopentylacetyl)-1,4-diazepan-1-yl]methyl}-2-methylpyrimidin-4-ol
CID 137336268

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3R)-3-N-ethyl-1,2,2-trimethyl-1-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]cyclopentane-1,3-dicarboxamide?
The IUPAC name of trans-(1S,3R)-3-N-ethyl-1,2,2-trimethyl-1-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]cyclopentane-1,3-dicarboxamide (CID 137273891) is trans-(1S,3R)-3-N-ethyl-1,2,2-trimethyl-1-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]cyclopentane-1,3-dicarboxamide.
What is the SMILES notation for trans-(1S,3R)-3-N-ethyl-1,2,2-trimethyl-1-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]cyclopentane-1,3-dicarboxamide?
The canonical SMILES for trans-(1S,3R)-3-N-ethyl-1,2,2-trimethyl-1-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]cyclopentane-1,3-dicarboxamide is CCNC(=O)[C@@H]1CC[C@](C)(C(=O)NCc2nc(C)cc(=O)[nH]2)C1(C)C.
What is the InChIKey of trans-(1S,3R)-3-N-ethyl-1,2,2-trimethyl-1-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]cyclopentane-1,3-dicarboxamide?
The InChIKey is ZLPCOVGFSGRGJW-KPZWWZAWSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-6-19-15(24)12-7-8-18(5,17(12,3)4)16(25)20-10-13-21-11(2)9-14(23)22-13/h9,12H,6-8,10H2,1-5H3,(H,19,24)(H,20,25)(H,21,22,23)/t12-,18+/m0/s1.
What are the key properties of trans-(1S,3R)-3-N-ethyl-1,2,2-trimethyl-1-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]cyclopentane-1,3-dicarboxamide?
trans-(1S,3R)-3-N-ethyl-1,2,2-trimethyl-1-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]cyclopentane-1,3-dicarboxamide has a molecular weight of 348.45 g/mol, XLogP of 1.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3R)-3-N-ethyl-1,2,2-trimethyl-1-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]cyclopentane-1,3-dicarboxamide is sourced from PubChem (CID 137273891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).