N-[4-[(3,5-difluorophenyl)methyl]-2-pyridinyl]-N-methyl-2,3-dihydro-1H-indole-4-carboxamide

C22H19F2N3O — CID 122655121

IUPACN-[4-[(3,5-difluorophenyl)methyl]-2-pyridinyl]-N-methyl-2,3-dihydro-1H-indole-4-carboxamide
SMILESCN(C(=O)c1cccc2c1CCN2)c1cc(Cc2cc(F)cc(F)c2)ccn1
InChIInChI=1S/C22H19F2N3O/c1-27(22(28)19-3-2-4-20-18(19)6-8-25-20)21-12-14(5-7-26-21)9-15-10-16(23)13-17(24)11-15/h2-5,7,10-13,25H,6,8-9H2,1H3
InChIKeyAMAZZUOHEWGBIG-UHFFFAOYSA-N
MW379.41 g/mol
LogP4.20
Rot. Bonds4

About N-[4-[(3,5-difluorophenyl)methyl]-2-pyridinyl]-N-methyl-2,3-dihydro-1H-indole-4-carboxamide

N-[4-[(3,5-difluorophenyl)methyl]-2-pyridinyl]-N-methyl-2,3-dihydro-1H-indole-4-carboxamide (PubChem CID 122655121) has the molecular formula C22H19F2N3O and a molecular weight of 379.41 g/mol. Its IUPAC name is N-[4-[(3,5-difluorophenyl)methyl]-2-pyridinyl]-N-methyl-2,3-dihydro-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(3,5-difluorophenyl)methyl]-2-pyridinyl]-N-methyl-2,3-dihydro-1H-indole-4-carboxamide
PubChem CID122655121
Molecular FormulaC22H19F2N3O
Molecular Weight379.41 g/mol
Exact Mass379.15
IUPAC NameN-[4-[(3,5-difluorophenyl)methyl]-2-pyridinyl]-N-methyl-2,3-dihydro-1H-indole-4-carboxamide
SMILESCN(C(=O)c1cccc2c1CCN2)c1cc(Cc2cc(F)cc(F)c2)ccn1
InChIInChI=1S/C22H19F2N3O/c1-27(22(28)19-3-2-4-20-18(19)6-8-25-20)21-12-14(5-7-26-21)9-15-10-16(23)13-17(24)11-15/h2-5,7,10-13,25H,6,8-9H2,1H3
InChIKeyAMAZZUOHEWGBIG-UHFFFAOYSA-N
XLogP4.20
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,5-difluorophenyl)methyl]-2-pyridinyl]-N-methyl-2,3-dihydro-1H-indole-4-carboxamide?
The IUPAC name of N-[4-[(3,5-difluorophenyl)methyl]-2-pyridinyl]-N-methyl-2,3-dihydro-1H-indole-4-carboxamide (CID 122655121) is N-[4-[(3,5-difluorophenyl)methyl]-2-pyridinyl]-N-methyl-2,3-dihydro-1H-indole-4-carboxamide.
What is the SMILES notation for N-[4-[(3,5-difluorophenyl)methyl]-2-pyridinyl]-N-methyl-2,3-dihydro-1H-indole-4-carboxamide?
The canonical SMILES for N-[4-[(3,5-difluorophenyl)methyl]-2-pyridinyl]-N-methyl-2,3-dihydro-1H-indole-4-carboxamide is CN(C(=O)c1cccc2c1CCN2)c1cc(Cc2cc(F)cc(F)c2)ccn1.
What is the InChIKey of N-[4-[(3,5-difluorophenyl)methyl]-2-pyridinyl]-N-methyl-2,3-dihydro-1H-indole-4-carboxamide?
The InChIKey is AMAZZUOHEWGBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O/c1-27(22(28)19-3-2-4-20-18(19)6-8-25-20)21-12-14(5-7-26-21)9-15-10-16(23)13-17(24)11-15/h2-5,7,10-13,25H,6,8-9H2,1H3.
What are the key properties of N-[4-[(3,5-difluorophenyl)methyl]-2-pyridinyl]-N-methyl-2,3-dihydro-1H-indole-4-carboxamide?
N-[4-[(3,5-difluorophenyl)methyl]-2-pyridinyl]-N-methyl-2,3-dihydro-1H-indole-4-carboxamide has a molecular weight of 379.41 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,5-difluorophenyl)methyl]-2-pyridinyl]-N-methyl-2,3-dihydro-1H-indole-4-carboxamide is sourced from PubChem (CID 122655121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).