N-[3-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]formamide

C14H18N2O — CID 165118334

IUPACN-[3-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]formamide
SMILESCc1cc(NC=O)ccc1C1=CCN(C)CC1
InChIInChI=1S/C14H18N2O/c1-11-9-13(15-10-17)3-4-14(11)12-5-7-16(2)8-6-12/h3-5,9-10H,6-8H2,1-2H3,(H,15,17)
InChIKeyWXBPIEFLPVTDEG-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.28
Rot. Bonds3

About N-[3-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]formamide

N-[3-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]formamide (PubChem CID 165118334) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[3-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]formamide.

Molecular Properties

Compound NameN-[3-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]formamide
PubChem CID165118334
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-[3-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]formamide
SMILESCc1cc(NC=O)ccc1C1=CCN(C)CC1
InChIInChI=1S/C14H18N2O/c1-11-9-13(15-10-17)3-4-14(11)12-5-7-16(2)8-6-12/h3-5,9-10H,6-8H2,1-2H3,(H,15,17)
InChIKeyWXBPIEFLPVTDEG-UHFFFAOYSA-N
XLogP2.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[3-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]formamide?
The IUPAC name of N-[3-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]formamide (CID 165118334) is N-[3-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]formamide.
What is the SMILES notation for N-[3-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]formamide?
The canonical SMILES for N-[3-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]formamide is Cc1cc(NC=O)ccc1C1=CCN(C)CC1.
What is the InChIKey of N-[3-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]formamide?
The InChIKey is WXBPIEFLPVTDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-11-9-13(15-10-17)3-4-14(11)12-5-7-16(2)8-6-12/h3-5,9-10H,6-8H2,1-2H3,(H,15,17).
What are the key properties of N-[3-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]formamide?
N-[3-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]formamide has a molecular weight of 230.31 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]formamide is sourced from PubChem (CID 165118334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).