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'}

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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).