N-[4-[(E)-2-cyclopentylprop-1-enyl]-6-methoxy-2-methyl-3-pyridinyl]formamide

C16H22N2O2 — CID 174316128

IUPACN-[4-[(E)-2-cyclopentylprop-1-enyl]-6-methoxy-2-methyl-3-pyridinyl]formamide
SMILESCOc1cc(/C=C(\C)C2CCCC2)c(NC=O)c(C)n1
InChIInChI=1S/C16H22N2O2/c1-11(13-6-4-5-7-13)8-14-9-15(20-3)18-12(2)16(14)17-10-19/h8-10,13H,4-7H2,1-3H3,(H,17,19)/b11-8+
InChIKeyVCSAGJWBTBNAGW-DHZHZOJOSA-N
MW274.36 g/mol
LogP3.56
Rot. Bonds5

About N-[4-[(E)-2-cyclopentylprop-1-enyl]-6-methoxy-2-methyl-3-pyridinyl]formamide

N-[4-[(E)-2-cyclopentylprop-1-enyl]-6-methoxy-2-methyl-3-pyridinyl]formamide (PubChem CID 174316128) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[4-[(E)-2-cyclopentylprop-1-enyl]-6-methoxy-2-methyl-3-pyridinyl]formamide.

Molecular Properties

Compound NameN-[4-[(E)-2-cyclopentylprop-1-enyl]-6-methoxy-2-methyl-3-pyridinyl]formamide
PubChem CID174316128
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[4-[(E)-2-cyclopentylprop-1-enyl]-6-methoxy-2-methyl-3-pyridinyl]formamide
SMILESCOc1cc(/C=C(\C)C2CCCC2)c(NC=O)c(C)n1
InChIInChI=1S/C16H22N2O2/c1-11(13-6-4-5-7-13)8-14-9-15(20-3)18-12(2)16(14)17-10-19/h8-10,13H,4-7H2,1-3H3,(H,17,19)/b11-8+
InChIKeyVCSAGJWBTBNAGW-DHZHZOJOSA-N
XLogP3.56
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-[(E)-2-cyclopentylprop-1-enyl]-6-methoxy-2-methyl-3-pyridinyl]formamide with MolForge

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Related Compounds

N-(6-methoxy-2,4-dimethyl-3-pyridinyl)formamide
CID 176936820
3-bromo-6-methoxy-2-methylpyridine-4-carbaldehyde
CID 126673304
3-(difluoromethyl)-6-methoxy-2-methylpyridine-4-carbaldehyde
CID 130087961
1-(4,6-dimethoxypyrimidin-2-yl)piperidine-2-carbaldehyde
CID 113293059
methyl 1-(6-methoxy-2-methylpyrimidin-4-yl)piperidine-2-carboxylate
CID 115538357
(E)-N-(6-methoxy-2,4-dimethyl-3-pyridinyl)-3-[3-methyl-1-(oxan-2-yl)indazol-6-yl]prop-2-enamide
CID 169172989
N-cyclooctyl-4,6-dimethoxypyrimidin-2-amine
CID 115354929
2-(cyclopropylmethylamino)-N-(4,6-dimethoxypyrimidin-2-yl)acetamide
CID 107625783
2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 66326095
N-(cyclopentylmethyl)-4,6-dimethoxypyrimidin-2-amine
CID 113278339
6-methoxy-N-(methoxymethyl)-2,4-dimethylpyridin-3-amine
CID 176936781
3-cyclopentyl-2-(4,6-dimethoxypyrimidin-2-yl)sulfanylbutanal
CID 18966213

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-2-cyclopentylprop-1-enyl]-6-methoxy-2-methyl-3-pyridinyl]formamide?
The IUPAC name of N-[4-[(E)-2-cyclopentylprop-1-enyl]-6-methoxy-2-methyl-3-pyridinyl]formamide (CID 174316128) is N-[4-[(E)-2-cyclopentylprop-1-enyl]-6-methoxy-2-methyl-3-pyridinyl]formamide.
What is the SMILES notation for N-[4-[(E)-2-cyclopentylprop-1-enyl]-6-methoxy-2-methyl-3-pyridinyl]formamide?
The canonical SMILES for N-[4-[(E)-2-cyclopentylprop-1-enyl]-6-methoxy-2-methyl-3-pyridinyl]formamide is COc1cc(/C=C(\C)C2CCCC2)c(NC=O)c(C)n1.
What is the InChIKey of N-[4-[(E)-2-cyclopentylprop-1-enyl]-6-methoxy-2-methyl-3-pyridinyl]formamide?
The InChIKey is VCSAGJWBTBNAGW-DHZHZOJOSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11(13-6-4-5-7-13)8-14-9-15(20-3)18-12(2)16(14)17-10-19/h8-10,13H,4-7H2,1-3H3,(H,17,19)/b11-8+.
What are the key properties of N-[4-[(E)-2-cyclopentylprop-1-enyl]-6-methoxy-2-methyl-3-pyridinyl]formamide?
N-[4-[(E)-2-cyclopentylprop-1-enyl]-6-methoxy-2-methyl-3-pyridinyl]formamide has a molecular weight of 274.36 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-2-cyclopentylprop-1-enyl]-6-methoxy-2-methyl-3-pyridinyl]formamide is sourced from PubChem (CID 174316128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).