4-[(2-fluoro-2-methylcyclopentyl)amino]-N-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide

C19H21F4N5O — CID 121285006

IUPAC4-[(2-fluoro-2-methylcyclopentyl)amino]-N-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2cc(C(F)(F)F)ccn2)cc1NC1CCCC1(C)F
InChIInChI=1S/C19H21F4N5O/c1-18(20)6-3-4-14(18)27-13-9-16(26-10-12(13)17(29)24-2)28-15-8-11(5-7-25-15)19(21,22)23/h5,7-10,14H,3-4,6H2,1-2H3,(H,24,29)(H2,25,26,27,28)
InChIKeyFVXDCSVGEWHLTF-UHFFFAOYSA-N
MW411.40 g/mol
LogP4.29
Rot. Bonds5

About 4-[(2-fluoro-2-methylcyclopentyl)amino]-N-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide

4-[(2-fluoro-2-methylcyclopentyl)amino]-N-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide (PubChem CID 121285006) has the molecular formula C19H21F4N5O and a molecular weight of 411.40 g/mol. Its IUPAC name is 4-[(2-fluoro-2-methylcyclopentyl)amino]-N-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[(2-fluoro-2-methylcyclopentyl)amino]-N-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide
PubChem CID121285006
Molecular FormulaC19H21F4N5O
Molecular Weight411.40 g/mol
Exact Mass411.17
IUPAC Name4-[(2-fluoro-2-methylcyclopentyl)amino]-N-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2cc(C(F)(F)F)ccn2)cc1NC1CCCC1(C)F
InChIInChI=1S/C19H21F4N5O/c1-18(20)6-3-4-14(18)27-13-9-16(26-10-12(13)17(29)24-2)28-15-8-11(5-7-25-15)19(21,22)23/h5,7-10,14H,3-4,6H2,1-2H3,(H,24,29)(H2,25,26,27,28)
InChIKeyFVXDCSVGEWHLTF-UHFFFAOYSA-N
XLogP4.29
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.40
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-2-methylcyclopentyl)amino]-N-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide?
The IUPAC name of 4-[(2-fluoro-2-methylcyclopentyl)amino]-N-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide (CID 121285006) is 4-[(2-fluoro-2-methylcyclopentyl)amino]-N-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[(2-fluoro-2-methylcyclopentyl)amino]-N-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 4-[(2-fluoro-2-methylcyclopentyl)amino]-N-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide is CNC(=O)c1cnc(Nc2cc(C(F)(F)F)ccn2)cc1NC1CCCC1(C)F.
What is the InChIKey of 4-[(2-fluoro-2-methylcyclopentyl)amino]-N-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide?
The InChIKey is FVXDCSVGEWHLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F4N5O/c1-18(20)6-3-4-14(18)27-13-9-16(26-10-12(13)17(29)24-2)28-15-8-11(5-7-25-15)19(21,22)23/h5,7-10,14H,3-4,6H2,1-2H3,(H,24,29)(H2,25,26,27,28).
What are the key properties of 4-[(2-fluoro-2-methylcyclopentyl)amino]-N-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide?
4-[(2-fluoro-2-methylcyclopentyl)amino]-N-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide has a molecular weight of 411.40 g/mol, XLogP of 4.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-2-methylcyclopentyl)amino]-N-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 121285006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).