N-[(4-methylphenyl)methyl]indolizine-2-carboxamide

C17H16N2O — CID 46388289

IUPACN-[(4-methylphenyl)methyl]indolizine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cc3ccccn3c2)cc1
InChIInChI=1S/C17H16N2O/c1-13-5-7-14(8-6-13)11-18-17(20)15-10-16-4-2-3-9-19(16)12-15/h2-10,12H,11H2,1H3,(H,18,20)
InChIKeyMMYLVOJTZOGHHP-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.18
Rot. Bonds3

About N-[(4-methylphenyl)methyl]indolizine-2-carboxamide

N-[(4-methylphenyl)methyl]indolizine-2-carboxamide (PubChem CID 46388289) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]indolizine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]indolizine-2-carboxamide
PubChem CID46388289
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC NameN-[(4-methylphenyl)methyl]indolizine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cc3ccccn3c2)cc1
InChIInChI=1S/C17H16N2O/c1-13-5-7-14(8-6-13)11-18-17(20)15-10-16-4-2-3-9-19(16)12-15/h2-10,12H,11H2,1H3,(H,18,20)
InChIKeyMMYLVOJTZOGHHP-UHFFFAOYSA-N
XLogP3.18
TPSA33.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4,5-trimethoxyphenyl)methyl]indolizine-2-carboxamide
CID 46388327
N-[(4-methylphenyl)methyl]-4-phenylbenzamide
CID 1228171
3,5-dihydroxy-N-[(4-methylphenyl)methyl]benzamide
CID 103891536
3,5-dimethoxy-N-[(4-methylphenyl)methyl]benzamide
CID 835462
N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylbenzamide
CID 22567008
N-[(4-tert-butylphenyl)methyl]-4-methylbenzamide
CID 97423443
4-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 62167130
1,4-dimethyl-N-[(4-methylphenyl)methyl]-2,3-dioxoquinoxaline-6-carboxamide
CID 6625310
1-N-butyl-3-N-[(4-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109051077
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]indolizine-2-carboxamide
CID 122327290
(E)-3-[3-[(4-methylphenyl)methylcarbamoyl]-5-phenylphenyl]prop-2-enoic acid
CID 170766335
N-[(4-methylphenyl)methyl]-4-propan-2-ylbenzamide
CID 2671711

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]indolizine-2-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]indolizine-2-carboxamide (CID 46388289) is N-[(4-methylphenyl)methyl]indolizine-2-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]indolizine-2-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]indolizine-2-carboxamide is Cc1ccc(CNC(=O)c2cc3ccccn3c2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]indolizine-2-carboxamide?
The InChIKey is MMYLVOJTZOGHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-13-5-7-14(8-6-13)11-18-17(20)15-10-16-4-2-3-9-19(16)12-15/h2-10,12H,11H2,1H3,(H,18,20).
What are the key properties of N-[(4-methylphenyl)methyl]indolizine-2-carboxamide?
N-[(4-methylphenyl)methyl]indolizine-2-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]indolizine-2-carboxamide is sourced from PubChem (CID 46388289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).