trans-(1R,3S)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

C18H26N2O3 — CID 38781722

IUPACtrans-(1R,3S)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCOCCn1cc(NC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)ccc1=O
InChIInChI=1S/C18H26N2O3/c1-12(2)10-14-16(18(14,3)4)17(22)19-13-6-7-15(21)20(11-13)8-9-23-5/h6-7,10-11,14,16H,8-9H2,1-5H3,(H,19,22)/t14-,16-/m0/s1
InChIKeyKCLVQHPBFBFBPI-HOCLYGCPSA-N
MW318.42 g/mol
LogP2.67
Rot. Bonds6

About trans-(1R,3S)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

trans-(1R,3S)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (PubChem CID 38781722) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is trans-(1R,3S)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,3S)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
PubChem CID38781722
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Nametrans-(1R,3S)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCOCCn1cc(NC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)ccc1=O
InChIInChI=1S/C18H26N2O3/c1-12(2)10-14-16(18(14,3)4)17(22)19-13-6-7-15(21)20(11-13)8-9-23-5/h6-7,10-11,14,16H,8-9H2,1-5H3,(H,19,22)/t14-,16-/m0/s1
InChIKeyKCLVQHPBFBFBPI-HOCLYGCPSA-N
XLogP2.67
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-methylbut-2-enamide
CID 113222064
N-(4-fluorophenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 47014952
4-chloro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]butanamide
CID 63307515
5-hydroxy-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]pentanamide
CID 79199757
trans-(1S,3R)-2,2-dimethyl-N-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 95145987
2-(2-methoxyethylamino)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]acetamide
CID 79281498
2-bromo-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]propanamide
CID 107903976
methyl N-[4-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]phenyl]-N-methylcarbamate
CID 71886670
trans-(1S,3R)-N-[4-(2-amino-2-oxoethyl)phenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 31859421
3-chloro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2,2-dimethylpropanamide
CID 63680566
2,2-dimethyl-3-(2-methylprop-1-enyl)-N-pyridin-4-ylcyclopropane-1-carboxamide
CID 47141132
N-[4-(2-amino-2-oxoethoxy)phenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 4920320

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3S)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,3S)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (CID 38781722) is trans-(1R,3S)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,3S)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,3S)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is COCCn1cc(NC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)ccc1=O.
What is the InChIKey of trans-(1R,3S)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The InChIKey is KCLVQHPBFBFBPI-HOCLYGCPSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-12(2)10-14-16(18(14,3)4)17(22)19-13-6-7-15(21)20(11-13)8-9-23-5/h6-7,10-11,14,16H,8-9H2,1-5H3,(H,19,22)/t14-,16-/m0/s1.
What are the key properties of trans-(1R,3S)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
trans-(1R,3S)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3S)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 38781722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).