N-[(4S)-8-methyl-3,4-dihydro-2H-chromen-4-yl]-2-(3-methyl-2-oxo-1-pyridinyl)acetamide

C18H20N2O3 — CID 126774817

IUPACN-[(4S)-8-methyl-3,4-dihydro-2H-chromen-4-yl]-2-(3-methyl-2-oxo-1-pyridinyl)acetamide
SMILESCc1cccc2c1OCC[C@@H]2NC(=O)Cn1cccc(C)c1=O
InChIInChI=1S/C18H20N2O3/c1-12-5-3-7-14-15(8-10-23-17(12)14)19-16(21)11-20-9-4-6-13(2)18(20)22/h3-7,9,15H,8,10-11H2,1-2H3,(H,19,21)/t15-/m0/s1
InChIKeyVLGNHUDQIBKEAK-HNNXBMFYSA-N
MW312.37 g/mol
LogP2.11
Rot. Bonds3

About N-[(4S)-8-methyl-3,4-dihydro-2H-chromen-4-yl]-2-(3-methyl-2-oxo-1-pyridinyl)acetamide

N-[(4S)-8-methyl-3,4-dihydro-2H-chromen-4-yl]-2-(3-methyl-2-oxo-1-pyridinyl)acetamide (PubChem CID 126774817) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(4S)-8-methyl-3,4-dihydro-2H-chromen-4-yl]-2-(3-methyl-2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[(4S)-8-methyl-3,4-dihydro-2H-chromen-4-yl]-2-(3-methyl-2-oxo-1-pyridinyl)acetamide
PubChem CID126774817
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[(4S)-8-methyl-3,4-dihydro-2H-chromen-4-yl]-2-(3-methyl-2-oxo-1-pyridinyl)acetamide
SMILESCc1cccc2c1OCC[C@@H]2NC(=O)Cn1cccc(C)c1=O
InChIInChI=1S/C18H20N2O3/c1-12-5-3-7-14-15(8-10-23-17(12)14)19-16(21)11-20-9-4-6-13(2)18(20)22/h3-7,9,15H,8,10-11H2,1-2H3,(H,19,21)/t15-/m0/s1
InChIKeyVLGNHUDQIBKEAK-HNNXBMFYSA-N
XLogP2.11
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4S)-8-methyl-3,4-dihydro-2H-chromen-4-yl]-2-(3-methyl-2-oxo-1-pyridinyl)acetamide with MolForge

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Related Compounds

N-(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)butanamide
CID 110478605
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 99844064
1-(2,2-difluoroethyl)-3-[(4S)-8-methyl-3,4-dihydro-2H-chromen-4-yl]urea
CID 86807127
N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 18115170
N-(3,4-dihydro-2H-chromen-4-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
CID 18121783
8-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 43511874
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 8927965
1-(3,4-dihydro-2H-chromen-4-yl)-3-(2,6-dimethylphenyl)urea
CID 110866349
3-methoxy-N-(9-methyl-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)propanamide
CID 110480512
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
CID 40672251
N-(3,4-dihydro-2H-chromen-4-yl)-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 46524067
1-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(2-methyl-1-oxoisoquinolin-7-yl)urea
CID 167848092

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-8-methyl-3,4-dihydro-2H-chromen-4-yl]-2-(3-methyl-2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-[(4S)-8-methyl-3,4-dihydro-2H-chromen-4-yl]-2-(3-methyl-2-oxo-1-pyridinyl)acetamide (CID 126774817) is N-[(4S)-8-methyl-3,4-dihydro-2H-chromen-4-yl]-2-(3-methyl-2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-[(4S)-8-methyl-3,4-dihydro-2H-chromen-4-yl]-2-(3-methyl-2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-[(4S)-8-methyl-3,4-dihydro-2H-chromen-4-yl]-2-(3-methyl-2-oxo-1-pyridinyl)acetamide is Cc1cccc2c1OCC[C@@H]2NC(=O)Cn1cccc(C)c1=O.
What is the InChIKey of N-[(4S)-8-methyl-3,4-dihydro-2H-chromen-4-yl]-2-(3-methyl-2-oxo-1-pyridinyl)acetamide?
The InChIKey is VLGNHUDQIBKEAK-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12-5-3-7-14-15(8-10-23-17(12)14)19-16(21)11-20-9-4-6-13(2)18(20)22/h3-7,9,15H,8,10-11H2,1-2H3,(H,19,21)/t15-/m0/s1.
What are the key properties of N-[(4S)-8-methyl-3,4-dihydro-2H-chromen-4-yl]-2-(3-methyl-2-oxo-1-pyridinyl)acetamide?
N-[(4S)-8-methyl-3,4-dihydro-2H-chromen-4-yl]-2-(3-methyl-2-oxo-1-pyridinyl)acetamide has a molecular weight of 312.37 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-8-methyl-3,4-dihydro-2H-chromen-4-yl]-2-(3-methyl-2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 126774817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).