N-[3-[(1-methylpyrrolidin-2-yl)methoxy]-5-(trifluoromethyl)phenyl]-2-(quinolin-6-ylmethylamino)pyridine-3-carboxamide

C29H28F3N5O2 — CID 22498957

IUPACN-[3-[(1-methylpyrrolidin-2-yl)methoxy]-5-(trifluoromethyl)phenyl]-2-(quinolin-6-ylmethylamino)pyridine-3-carboxamide
SMILESCN1CCCC1COc1cc(NC(=O)c2cccnc2NCc2ccc3ncccc3c2)cc(C(F)(F)F)c1
InChIInChI=1S/C29H28F3N5O2/c1-37-12-4-6-23(37)18-39-24-15-21(29(30,31)32)14-22(16-24)36-28(38)25-7-3-11-34-27(25)35-17-19-8-9-26-20(13-19)5-2-10-33-26/h2-3,5,7-11,13-16,23H,4,6,12,17-18H2,1H3,(H,34,35)(H,36,38)
InChIKeyNHMMDGSMVWPTTL-UHFFFAOYSA-N
MW535.57 g/mol
LogP5.99
Rot. Bonds8

About N-[3-[(1-methylpyrrolidin-2-yl)methoxy]-5-(trifluoromethyl)phenyl]-2-(quinolin-6-ylmethylamino)pyridine-3-carboxamide

N-[3-[(1-methylpyrrolidin-2-yl)methoxy]-5-(trifluoromethyl)phenyl]-2-(quinolin-6-ylmethylamino)pyridine-3-carboxamide (PubChem CID 22498957) has the molecular formula C29H28F3N5O2 and a molecular weight of 535.57 g/mol. Its IUPAC name is N-[3-[(1-methylpyrrolidin-2-yl)methoxy]-5-(trifluoromethyl)phenyl]-2-(quinolin-6-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(1-methylpyrrolidin-2-yl)methoxy]-5-(trifluoromethyl)phenyl]-2-(quinolin-6-ylmethylamino)pyridine-3-carboxamide
PubChem CID22498957
Molecular FormulaC29H28F3N5O2
Molecular Weight535.57 g/mol
Exact Mass535.22
IUPAC NameN-[3-[(1-methylpyrrolidin-2-yl)methoxy]-5-(trifluoromethyl)phenyl]-2-(quinolin-6-ylmethylamino)pyridine-3-carboxamide
SMILESCN1CCCC1COc1cc(NC(=O)c2cccnc2NCc2ccc3ncccc3c2)cc(C(F)(F)F)c1
InChIInChI=1S/C29H28F3N5O2/c1-37-12-4-6-23(37)18-39-24-15-21(29(30,31)32)14-22(16-24)36-28(38)25-7-3-11-34-27(25)35-17-19-8-9-26-20(13-19)5-2-10-33-26/h2-3,5,7-11,13-16,23H,4,6,12,17-18H2,1H3,(H,34,35)(H,36,38)
InChIKeyNHMMDGSMVWPTTL-UHFFFAOYSA-N
XLogP5.99
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.57
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[(1-methylpyrrolidin-2-yl)methoxy]-5-(trifluoromethyl)phenyl]-2-(quinolin-6-ylmethylamino)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 N-[3-[(1-methylpyrrolidin-2-yl)methoxy]-5-(trifluoromethyl)phenyl]-2-(quinolin-6-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[3-[(1-methylpyrrolidin-2-yl)methoxy]-5-(trifluoromethyl)phenyl]-2-(quinolin-6-ylmethylamino)pyridine-3-carboxamide (CID 22498957) is N-[3-[(1-methylpyrrolidin-2-yl)methoxy]-5-(trifluoromethyl)phenyl]-2-(quinolin-6-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(1-methylpyrrolidin-2-yl)methoxy]-5-(trifluoromethyl)phenyl]-2-(quinolin-6-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[3-[(1-methylpyrrolidin-2-yl)methoxy]-5-(trifluoromethyl)phenyl]-2-(quinolin-6-ylmethylamino)pyridine-3-carboxamide is CN1CCCC1COc1cc(NC(=O)c2cccnc2NCc2ccc3ncccc3c2)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-[(1-methylpyrrolidin-2-yl)methoxy]-5-(trifluoromethyl)phenyl]-2-(quinolin-6-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is NHMMDGSMVWPTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28F3N5O2/c1-37-12-4-6-23(37)18-39-24-15-21(29(30,31)32)14-22(16-24)36-28(38)25-7-3-11-34-27(25)35-17-19-8-9-26-20(13-19)5-2-10-33-26/h2-3,5,7-11,13-16,23H,4,6,12,17-18H2,1H3,(H,34,35)(H,36,38).
What are the key properties of N-[3-[(1-methylpyrrolidin-2-yl)methoxy]-5-(trifluoromethyl)phenyl]-2-(quinolin-6-ylmethylamino)pyridine-3-carboxamide?
N-[3-[(1-methylpyrrolidin-2-yl)methoxy]-5-(trifluoromethyl)phenyl]-2-(quinolin-6-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 535.57 g/mol, XLogP of 5.99, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-methylpyrrolidin-2-yl)methoxy]-5-(trifluoromethyl)phenyl]-2-(quinolin-6-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 22498957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).