N-[5-(aminomethyl)-2-methylphenyl]-3,8a-dihydroimidazo[1,2-a]pyridine-3-carboxamide

C16H18N4O — CID 123260188

IUPACN-[5-(aminomethyl)-2-methylphenyl]-3,8a-dihydroimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(CN)cc1NC(=O)C1C=NC2C=CC=CN21
InChIInChI=1S/C16H18N4O/c1-11-5-6-12(9-17)8-13(11)19-16(21)14-10-18-15-4-2-3-7-20(14)15/h2-8,10,14-15H,9,17H2,1H3,(H,19,21)
InChIKeyKMIRBFOFDYRYES-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.56
Rot. Bonds3

About N-[5-(aminomethyl)-2-methylphenyl]-3,8a-dihydroimidazo[1,2-a]pyridine-3-carboxamide

N-[5-(aminomethyl)-2-methylphenyl]-3,8a-dihydroimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 123260188) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-[5-(aminomethyl)-2-methylphenyl]-3,8a-dihydroimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(aminomethyl)-2-methylphenyl]-3,8a-dihydroimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID123260188
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-[5-(aminomethyl)-2-methylphenyl]-3,8a-dihydroimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(CN)cc1NC(=O)C1C=NC2C=CC=CN21
InChIInChI=1S/C16H18N4O/c1-11-5-6-12(9-17)8-13(11)19-16(21)14-10-18-15-4-2-3-7-20(14)15/h2-8,10,14-15H,9,17H2,1H3,(H,19,21)
InChIKeyKMIRBFOFDYRYES-UHFFFAOYSA-N
XLogP1.56
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(aminomethyl)-2-methylphenyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66475489
N-[5-(aminomethyl)-2-methylphenyl]-4-ethylbenzamide
CID 62103960
N-[5-(aminomethyl)-2-methylphenyl]-3-hydroxy-4-methylbenzamide
CID 62105051
N-[5-(aminomethyl)-2-methylphenyl]-3-fluorobenzamide
CID 62104316
1-[5-(aminomethyl)-2-methylphenyl]-3-propylurea
CID 62104342
N-[5-(aminomethyl)-2-methylphenyl]-2,4,6-trimethylbenzamide
CID 62103226
1-[4-(aminomethyl)phenyl]-3-(5-fluoro-2-methylphenyl)urea
CID 43133007
N-[5-(aminomethyl)-2-methylphenyl]-1,1-dioxothiane-2-carboxamide
CID 104517158
N-[5-(aminomethyl)-2-methylphenyl]-4-methylpentanamide
CID 62104870
N-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-2-methylpropanamide
CID 103017435
N-[5-(aminomethyl)-2-methylphenyl]hexanamide
CID 62104488
N-[5-(aminomethyl)-2-methylphenyl]-3,5-difluorobenzamide
CID 62104670

Frequently Asked Questions

What is the IUPAC name of N-[5-(aminomethyl)-2-methylphenyl]-3,8a-dihydroimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[5-(aminomethyl)-2-methylphenyl]-3,8a-dihydroimidazo[1,2-a]pyridine-3-carboxamide (CID 123260188) is N-[5-(aminomethyl)-2-methylphenyl]-3,8a-dihydroimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(aminomethyl)-2-methylphenyl]-3,8a-dihydroimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[5-(aminomethyl)-2-methylphenyl]-3,8a-dihydroimidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc(CN)cc1NC(=O)C1C=NC2C=CC=CN21.
What is the InChIKey of N-[5-(aminomethyl)-2-methylphenyl]-3,8a-dihydroimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is KMIRBFOFDYRYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-11-5-6-12(9-17)8-13(11)19-16(21)14-10-18-15-4-2-3-7-20(14)15/h2-8,10,14-15H,9,17H2,1H3,(H,19,21).
What are the key properties of N-[5-(aminomethyl)-2-methylphenyl]-3,8a-dihydroimidazo[1,2-a]pyridine-3-carboxamide?
N-[5-(aminomethyl)-2-methylphenyl]-3,8a-dihydroimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(aminomethyl)-2-methylphenyl]-3,8a-dihydroimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 123260188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).