N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide

C15H15N3O — CID 80566085

IUPACN-(pyridin-4-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
SMILESO=C(NCc1ccncc1)C1CNc2ccccc21
InChIInChI=1S/C15H15N3O/c19-15(18-9-11-5-7-16-8-6-11)13-10-17-14-4-2-1-3-12(13)14/h1-8,13,17H,9-10H2,(H,18,19)
InChIKeyVECVPAPMSQBMMT-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.91
Rot. Bonds3

About N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide

N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide (PubChem CID 80566085) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
PubChem CID80566085
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC NameN-(pyridin-4-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
SMILESO=C(NCc1ccncc1)C1CNc2ccccc21
InChIInChI=1S/C15H15N3O/c19-15(18-9-11-5-7-16-8-6-11)13-10-17-14-4-2-1-3-12(13)14/h1-8,13,17H,9-10H2,(H,18,19)
InChIKeyVECVPAPMSQBMMT-UHFFFAOYSA-N
XLogP1.91
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 80573900
N-(1H-imidazol-2-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80567109
N-(2,2-difluoroethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 115406896
N-[(3-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80567333
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80565639
N-[2-(4-hydroxyphenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80563456
4-(2,3-dihydro-1H-indole-3-carbonylamino)butanoic acid
CID 80565766
N-[(2-methylcyclopropyl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 113463842
N-(cyclohexylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566002
N-hexyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80565289
N-pyrimidin-5-yl-2,3-dihydro-1H-indole-3-carboxamide
CID 107588629
N-methyl-N-pyridin-4-yl-2,3-dihydro-1H-indole-3-carboxamide
CID 106935099

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide?
The IUPAC name of N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide (CID 80566085) is N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide?
The canonical SMILES for N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide is O=C(NCc1ccncc1)C1CNc2ccccc21.
What is the InChIKey of N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide?
The InChIKey is VECVPAPMSQBMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c19-15(18-9-11-5-7-16-8-6-11)13-10-17-14-4-2-1-3-12(13)14/h1-8,13,17H,9-10H2,(H,18,19).
What are the key properties of N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide?
N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide has a molecular weight of 253.31 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide is sourced from PubChem (CID 80566085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).