4-[(2,6-difluorophenyl)methylamino]-6-[[5-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-pyridinyl]methyl]pyridine-3-carboxamide

C26H28F2N6O2 — CID 58440353

IUPAC4-[(2,6-difluorophenyl)methylamino]-6-[[5-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-pyridinyl]methyl]pyridine-3-carboxamide
SMILESCN(C)C1CCN(C(=O)c2ccc(Cc3cc(NCc4c(F)cccc4F)c(C(N)=O)cn3)nc2)C1
InChIInChI=1S/C26H28F2N6O2/c1-33(2)19-8-9-34(15-19)26(36)16-6-7-17(30-12-16)10-18-11-24(21(14-31-18)25(29)35)32-13-20-22(27)4-3-5-23(20)28/h3-7,11-12,14,19H,8-10,13,15H2,1-2H3,(H2,29,35)(H,31,32)
InChIKeyHNEKLEBEQGBYDL-UHFFFAOYSA-N
MW494.55 g/mol
LogP2.83
Rot. Bonds8

About 4-[(2,6-difluorophenyl)methylamino]-6-[[5-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-pyridinyl]methyl]pyridine-3-carboxamide

4-[(2,6-difluorophenyl)methylamino]-6-[[5-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-pyridinyl]methyl]pyridine-3-carboxamide (PubChem CID 58440353) has the molecular formula C26H28F2N6O2 and a molecular weight of 494.55 g/mol. Its IUPAC name is 4-[(2,6-difluorophenyl)methylamino]-6-[[5-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-pyridinyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[(2,6-difluorophenyl)methylamino]-6-[[5-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-pyridinyl]methyl]pyridine-3-carboxamide
PubChem CID58440353
Molecular FormulaC26H28F2N6O2
Molecular Weight494.55 g/mol
Exact Mass494.22
IUPAC Name4-[(2,6-difluorophenyl)methylamino]-6-[[5-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-pyridinyl]methyl]pyridine-3-carboxamide
SMILESCN(C)C1CCN(C(=O)c2ccc(Cc3cc(NCc4c(F)cccc4F)c(C(N)=O)cn3)nc2)C1
InChIInChI=1S/C26H28F2N6O2/c1-33(2)19-8-9-34(15-19)26(36)16-6-7-17(30-12-16)10-18-11-24(21(14-31-18)25(29)35)32-13-20-22(27)4-3-5-23(20)28/h3-7,11-12,14,19H,8-10,13,15H2,1-2H3,(H2,29,35)(H,31,32)
InChIKeyHNEKLEBEQGBYDL-UHFFFAOYSA-N
XLogP2.83
TPSA104.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.55
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(2,6-difluorophenyl)methylamino]-6-[[5-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-pyridinyl]methyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluorophenyl)methylamino]-6-[[5-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-pyridinyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 4-[(2,6-difluorophenyl)methylamino]-6-[[5-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-pyridinyl]methyl]pyridine-3-carboxamide (CID 58440353) is 4-[(2,6-difluorophenyl)methylamino]-6-[[5-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-pyridinyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-[(2,6-difluorophenyl)methylamino]-6-[[5-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-pyridinyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 4-[(2,6-difluorophenyl)methylamino]-6-[[5-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-pyridinyl]methyl]pyridine-3-carboxamide is CN(C)C1CCN(C(=O)c2ccc(Cc3cc(NCc4c(F)cccc4F)c(C(N)=O)cn3)nc2)C1.
What is the InChIKey of 4-[(2,6-difluorophenyl)methylamino]-6-[[5-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-pyridinyl]methyl]pyridine-3-carboxamide?
The InChIKey is HNEKLEBEQGBYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N6O2/c1-33(2)19-8-9-34(15-19)26(36)16-6-7-17(30-12-16)10-18-11-24(21(14-31-18)25(29)35)32-13-20-22(27)4-3-5-23(20)28/h3-7,11-12,14,19H,8-10,13,15H2,1-2H3,(H2,29,35)(H,31,32).
What are the key properties of 4-[(2,6-difluorophenyl)methylamino]-6-[[5-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-pyridinyl]methyl]pyridine-3-carboxamide?
4-[(2,6-difluorophenyl)methylamino]-6-[[5-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-pyridinyl]methyl]pyridine-3-carboxamide has a molecular weight of 494.55 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-difluorophenyl)methylamino]-6-[[5-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-pyridinyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 58440353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).