[5-amino-4-[(5-fluoro-4-methyl-2-pyridinyl)methylamino]-3,6-dihydro-2H-pyridin-1-yl]-[3-chloro-2-(trifluoromethyl)-4-pyridinyl]methanone

C19H18ClF4N5O — CID 134547386

IUPAC[5-amino-4-[(5-fluoro-4-methyl-2-pyridinyl)methylamino]-3,6-dihydro-2H-pyridin-1-yl]-[3-chloro-2-(trifluoromethyl)-4-pyridinyl]methanone
SMILESCc1cc(CNC2=C(N)CN(C(=O)c3ccnc(C(F)(F)F)c3Cl)CC2)ncc1F
InChIInChI=1S/C19H18ClF4N5O/c1-10-6-11(27-8-13(10)21)7-28-15-3-5-29(9-14(15)25)18(30)12-2-4-26-17(16(12)20)19(22,23)24/h2,4,6,8,28H,3,5,7,9,25H2,1H3
InChIKeyLGQIPPMIUXHSJH-UHFFFAOYSA-N
MW443.83 g/mol
LogP3.40
Rot. Bonds4

About [5-amino-4-[(5-fluoro-4-methyl-2-pyridinyl)methylamino]-3,6-dihydro-2H-pyridin-1-yl]-[3-chloro-2-(trifluoromethyl)-4-pyridinyl]methanone

[5-amino-4-[(5-fluoro-4-methyl-2-pyridinyl)methylamino]-3,6-dihydro-2H-pyridin-1-yl]-[3-chloro-2-(trifluoromethyl)-4-pyridinyl]methanone (PubChem CID 134547386) has the molecular formula C19H18ClF4N5O and a molecular weight of 443.83 g/mol. Its IUPAC name is [5-amino-4-[(5-fluoro-4-methyl-2-pyridinyl)methylamino]-3,6-dihydro-2H-pyridin-1-yl]-[3-chloro-2-(trifluoromethyl)-4-pyridinyl]methanone.

Molecular Properties

Compound Name[5-amino-4-[(5-fluoro-4-methyl-2-pyridinyl)methylamino]-3,6-dihydro-2H-pyridin-1-yl]-[3-chloro-2-(trifluoromethyl)-4-pyridinyl]methanone
PubChem CID134547386
Molecular FormulaC19H18ClF4N5O
Molecular Weight443.83 g/mol
Exact Mass443.11
IUPAC Name[5-amino-4-[(5-fluoro-4-methyl-2-pyridinyl)methylamino]-3,6-dihydro-2H-pyridin-1-yl]-[3-chloro-2-(trifluoromethyl)-4-pyridinyl]methanone
SMILESCc1cc(CNC2=C(N)CN(C(=O)c3ccnc(C(F)(F)F)c3Cl)CC2)ncc1F
InChIInChI=1S/C19H18ClF4N5O/c1-10-6-11(27-8-13(10)21)7-28-15-3-5-29(9-14(15)25)18(30)12-2-4-26-17(16(12)20)19(22,23)24/h2,4,6,8,28H,3,5,7,9,25H2,1H3
InChIKeyLGQIPPMIUXHSJH-UHFFFAOYSA-N
XLogP3.40
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.83
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [5-amino-4-[(5-fluoro-4-methyl-2-pyridinyl)methylamino]-3,6-dihydro-2H-pyridin-1-yl]-[3-chloro-2-(trifluoromethyl)-4-pyridinyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-amino-4-[(5-fluoro-4-methyl-2-pyridinyl)methylamino]-3,6-dihydro-2H-pyridin-1-yl]-[3-chloro-2-(trifluoromethyl)-4-pyridinyl]methanone?
The IUPAC name of [5-amino-4-[(5-fluoro-4-methyl-2-pyridinyl)methylamino]-3,6-dihydro-2H-pyridin-1-yl]-[3-chloro-2-(trifluoromethyl)-4-pyridinyl]methanone (CID 134547386) is [5-amino-4-[(5-fluoro-4-methyl-2-pyridinyl)methylamino]-3,6-dihydro-2H-pyridin-1-yl]-[3-chloro-2-(trifluoromethyl)-4-pyridinyl]methanone.
What is the SMILES notation for [5-amino-4-[(5-fluoro-4-methyl-2-pyridinyl)methylamino]-3,6-dihydro-2H-pyridin-1-yl]-[3-chloro-2-(trifluoromethyl)-4-pyridinyl]methanone?
The canonical SMILES for [5-amino-4-[(5-fluoro-4-methyl-2-pyridinyl)methylamino]-3,6-dihydro-2H-pyridin-1-yl]-[3-chloro-2-(trifluoromethyl)-4-pyridinyl]methanone is Cc1cc(CNC2=C(N)CN(C(=O)c3ccnc(C(F)(F)F)c3Cl)CC2)ncc1F.
What is the InChIKey of [5-amino-4-[(5-fluoro-4-methyl-2-pyridinyl)methylamino]-3,6-dihydro-2H-pyridin-1-yl]-[3-chloro-2-(trifluoromethyl)-4-pyridinyl]methanone?
The InChIKey is LGQIPPMIUXHSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF4N5O/c1-10-6-11(27-8-13(10)21)7-28-15-3-5-29(9-14(15)25)18(30)12-2-4-26-17(16(12)20)19(22,23)24/h2,4,6,8,28H,3,5,7,9,25H2,1H3.
What are the key properties of [5-amino-4-[(5-fluoro-4-methyl-2-pyridinyl)methylamino]-3,6-dihydro-2H-pyridin-1-yl]-[3-chloro-2-(trifluoromethyl)-4-pyridinyl]methanone?
[5-amino-4-[(5-fluoro-4-methyl-2-pyridinyl)methylamino]-3,6-dihydro-2H-pyridin-1-yl]-[3-chloro-2-(trifluoromethyl)-4-pyridinyl]methanone has a molecular weight of 443.83 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-4-[(5-fluoro-4-methyl-2-pyridinyl)methylamino]-3,6-dihydro-2H-pyridin-1-yl]-[3-chloro-2-(trifluoromethyl)-4-pyridinyl]methanone is sourced from PubChem (CID 134547386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).