N-[1-[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-3-formyl-N-methyl-1,2-dihydropyridine-4-carboxamide

C26H27F3N4O2 — CID 170418979

IUPACN-[1-[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-3-formyl-N-methyl-1,2-dihydropyridine-4-carboxamide
SMILESCN(C(=O)C1=C(C=O)CNC=C1)C(c1ccc(NC2Cc3ccccc3C2(C)C)cn1)C(F)(F)F
InChIInChI=1S/C26H27F3N4O2/c1-25(2)20-7-5-4-6-16(20)12-22(25)32-18-8-9-21(31-14-18)23(26(27,28)29)33(3)24(35)19-10-11-30-13-17(19)15-34/h4-11,14-15,22-23,30,32H,12-13H2,1-3H3
InChIKeyPOLAXFYTHPKSGP-UHFFFAOYSA-N
MW484.52 g/mol
LogP4.07
Rot. Bonds6

About N-[1-[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-3-formyl-N-methyl-1,2-dihydropyridine-4-carboxamide

N-[1-[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-3-formyl-N-methyl-1,2-dihydropyridine-4-carboxamide (PubChem CID 170418979) has the molecular formula C26H27F3N4O2 and a molecular weight of 484.52 g/mol. Its IUPAC name is N-[1-[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-3-formyl-N-methyl-1,2-dihydropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-3-formyl-N-methyl-1,2-dihydropyridine-4-carboxamide
PubChem CID170418979
Molecular FormulaC26H27F3N4O2
Molecular Weight484.52 g/mol
Exact Mass484.21
IUPAC NameN-[1-[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-3-formyl-N-methyl-1,2-dihydropyridine-4-carboxamide
SMILESCN(C(=O)C1=C(C=O)CNC=C1)C(c1ccc(NC2Cc3ccccc3C2(C)C)cn1)C(F)(F)F
InChIInChI=1S/C26H27F3N4O2/c1-25(2)20-7-5-4-6-16(20)12-22(25)32-18-8-9-21(31-14-18)23(26(27,28)29)33(3)24(35)19-10-11-30-13-17(19)15-34/h4-11,14-15,22-23,30,32H,12-13H2,1-3H3
InChIKeyPOLAXFYTHPKSGP-UHFFFAOYSA-N
XLogP4.07
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.52
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[1-[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-3-formyl-N-methyl-1,2-dihydropyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-3-formyl-N-methyl-1,2-dihydropyridine-4-carboxamide?
The IUPAC name of N-[1-[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-3-formyl-N-methyl-1,2-dihydropyridine-4-carboxamide (CID 170418979) is N-[1-[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-3-formyl-N-methyl-1,2-dihydropyridine-4-carboxamide.
What is the SMILES notation for N-[1-[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-3-formyl-N-methyl-1,2-dihydropyridine-4-carboxamide?
The canonical SMILES for N-[1-[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-3-formyl-N-methyl-1,2-dihydropyridine-4-carboxamide is CN(C(=O)C1=C(C=O)CNC=C1)C(c1ccc(NC2Cc3ccccc3C2(C)C)cn1)C(F)(F)F.
What is the InChIKey of N-[1-[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-3-formyl-N-methyl-1,2-dihydropyridine-4-carboxamide?
The InChIKey is POLAXFYTHPKSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N4O2/c1-25(2)20-7-5-4-6-16(20)12-22(25)32-18-8-9-21(31-14-18)23(26(27,28)29)33(3)24(35)19-10-11-30-13-17(19)15-34/h4-11,14-15,22-23,30,32H,12-13H2,1-3H3.
What are the key properties of N-[1-[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-3-formyl-N-methyl-1,2-dihydropyridine-4-carboxamide?
N-[1-[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-3-formyl-N-methyl-1,2-dihydropyridine-4-carboxamide has a molecular weight of 484.52 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-3-formyl-N-methyl-1,2-dihydropyridine-4-carboxamide is sourced from PubChem (CID 170418979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).