4-(5-chloro-2-pyridinyl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide

C21H17ClF3N5O — CID 118911235

IUPAC4-(5-chloro-2-pyridinyl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(Cl)cn2)c2c(n1)CN(Cc1ccnc(C(F)(F)F)c1)CC2
InChIInChI=1S/C21H17ClF3N5O/c22-13-1-2-16(28-9-13)15-8-17(20(26)31)29-18-11-30(6-4-14(15)18)10-12-3-5-27-19(7-12)21(23,24)25/h1-3,5,7-9H,4,6,10-11H2,(H2,26,31)
InChIKeyKVSDWGYUOJCSBU-UHFFFAOYSA-N
MW447.85 g/mol
LogP3.87
Rot. Bonds4

About 4-(5-chloro-2-pyridinyl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide

4-(5-chloro-2-pyridinyl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (PubChem CID 118911235) has the molecular formula C21H17ClF3N5O and a molecular weight of 447.85 g/mol. Its IUPAC name is 4-(5-chloro-2-pyridinyl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name4-(5-chloro-2-pyridinyl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
PubChem CID118911235
Molecular FormulaC21H17ClF3N5O
Molecular Weight447.85 g/mol
Exact Mass447.11
IUPAC Name4-(5-chloro-2-pyridinyl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(Cl)cn2)c2c(n1)CN(Cc1ccnc(C(F)(F)F)c1)CC2
InChIInChI=1S/C21H17ClF3N5O/c22-13-1-2-16(28-9-13)15-8-17(20(26)31)29-18-11-30(6-4-14(15)18)10-12-3-5-27-19(7-12)21(23,24)25/h1-3,5,7-9H,4,6,10-11H2,(H2,26,31)
InChIKeyKVSDWGYUOJCSBU-UHFFFAOYSA-N
XLogP3.87
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.85
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-pyridinyl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The IUPAC name of 4-(5-chloro-2-pyridinyl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (CID 118911235) is 4-(5-chloro-2-pyridinyl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.
What is the SMILES notation for 4-(5-chloro-2-pyridinyl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The canonical SMILES for 4-(5-chloro-2-pyridinyl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is NC(=O)c1cc(-c2ccc(Cl)cn2)c2c(n1)CN(Cc1ccnc(C(F)(F)F)c1)CC2.
What is the InChIKey of 4-(5-chloro-2-pyridinyl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The InChIKey is KVSDWGYUOJCSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF3N5O/c22-13-1-2-16(28-9-13)15-8-17(20(26)31)29-18-11-30(6-4-14(15)18)10-12-3-5-27-19(7-12)21(23,24)25/h1-3,5,7-9H,4,6,10-11H2,(H2,26,31).
What are the key properties of 4-(5-chloro-2-pyridinyl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
4-(5-chloro-2-pyridinyl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide has a molecular weight of 447.85 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-pyridinyl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 118911235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).