4-chloro-N-propan-2-yl-1,8-naphthyridin-2-amine;2-N-propan-2-yl-4-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]-1,8-naphthyridine-2,4-diamine;[2-(trifluoromethyl)-3-pyridinyl]methanamine

C36H37ClF6N10 — CID 160973370

IUPAC4-chloro-N-propan-2-yl-1,8-naphthyridin-2-amine;2-N-propan-2-yl-4-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]-1,8-naphthyridine-2,4-diamine;[2-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCC(C)Nc1cc(Cl)c2cccnc2n1.CC(C)Nc1cc(NCc2cccnc2C(F)(F)F)c2cccnc2n1.NCc1cccnc1C(F)(F)F
InChIInChI=1S/C18H18F3N5.C11H12ClN3.C7H7F3N2/c1-11(2)25-15-9-14(13-6-4-8-23-17(13)26-15)24-10-12-5-3-7-22-16(12)18(19,20)21;1-7(2)14-10-6-9(12)8-4-3-5-13-11(8)15-10;8-7(9,10)6-5(4-11)2-1-3-12-6/h3-9,11H,10H2,1-2H3,(H2,23,24,25,26);3-7H,1-2H3,(H,13,14,15);1-3H,4,11H2
InChIKeySYNXNPKMMHLRFN-UHFFFAOYSA-N
MW759.20 g/mol
LogP9.14
Rot. Bonds8

About 4-chloro-N-propan-2-yl-1,8-naphthyridin-2-amine;2-N-propan-2-yl-4-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]-1,8-naphthyridine-2,4-diamine;[2-(trifluoromethyl)-3-pyridinyl]methanamine

4-chloro-N-propan-2-yl-1,8-naphthyridin-2-amine;2-N-propan-2-yl-4-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]-1,8-naphthyridine-2,4-diamine;[2-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 160973370) has the molecular formula C36H37ClF6N10 and a molecular weight of 759.20 g/mol. Its IUPAC name is 4-chloro-N-propan-2-yl-1,8-naphthyridin-2-amine;2-N-propan-2-yl-4-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]-1,8-naphthyridine-2,4-diamine;[2-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name4-chloro-N-propan-2-yl-1,8-naphthyridin-2-amine;2-N-propan-2-yl-4-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]-1,8-naphthyridine-2,4-diamine;[2-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID160973370
Molecular FormulaC36H37ClF6N10
Molecular Weight759.20 g/mol
Exact Mass758.28
IUPAC Name4-chloro-N-propan-2-yl-1,8-naphthyridin-2-amine;2-N-propan-2-yl-4-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]-1,8-naphthyridine-2,4-diamine;[2-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCC(C)Nc1cc(Cl)c2cccnc2n1.CC(C)Nc1cc(NCc2cccnc2C(F)(F)F)c2cccnc2n1.NCc1cccnc1C(F)(F)F
InChIInChI=1S/C18H18F3N5.C11H12ClN3.C7H7F3N2/c1-11(2)25-15-9-14(13-6-4-8-23-17(13)26-15)24-10-12-5-3-7-22-16(12)18(19,20)21;1-7(2)14-10-6-9(12)8-4-3-5-13-11(8)15-10;8-7(9,10)6-5(4-11)2-1-3-12-6/h3-9,11H,10H2,1-2H3,(H2,23,24,25,26);3-7H,1-2H3,(H,13,14,15);1-3H,4,11H2
InChIKeySYNXNPKMMHLRFN-UHFFFAOYSA-N
XLogP9.14
TPSA139.45 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.20
LogP ≤ 59.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 4-chloro-N-propan-2-yl-1,8-naphthyridin-2-amine;2-N-propan-2-yl-4-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]-1,8-naphthyridine-2,4-diamine;[2-(trifluoromethyl)-3-pyridinyl]methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-propan-2-yl-1,8-naphthyridin-2-amine;2-N-propan-2-yl-4-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]-1,8-naphthyridine-2,4-diamine;[2-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of 4-chloro-N-propan-2-yl-1,8-naphthyridin-2-amine;2-N-propan-2-yl-4-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]-1,8-naphthyridine-2,4-diamine;[2-(trifluoromethyl)-3-pyridinyl]methanamine (CID 160973370) is 4-chloro-N-propan-2-yl-1,8-naphthyridin-2-amine;2-N-propan-2-yl-4-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]-1,8-naphthyridine-2,4-diamine;[2-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for 4-chloro-N-propan-2-yl-1,8-naphthyridin-2-amine;2-N-propan-2-yl-4-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]-1,8-naphthyridine-2,4-diamine;[2-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for 4-chloro-N-propan-2-yl-1,8-naphthyridin-2-amine;2-N-propan-2-yl-4-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]-1,8-naphthyridine-2,4-diamine;[2-(trifluoromethyl)-3-pyridinyl]methanamine is CC(C)Nc1cc(Cl)c2cccnc2n1.CC(C)Nc1cc(NCc2cccnc2C(F)(F)F)c2cccnc2n1.NCc1cccnc1C(F)(F)F.
What is the InChIKey of 4-chloro-N-propan-2-yl-1,8-naphthyridin-2-amine;2-N-propan-2-yl-4-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]-1,8-naphthyridine-2,4-diamine;[2-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is SYNXNPKMMHLRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5.C11H12ClN3.C7H7F3N2/c1-11(2)25-15-9-14(13-6-4-8-23-17(13)26-15)24-10-12-5-3-7-22-16(12)18(19,20)21;1-7(2)14-10-6-9(12)8-4-3-5-13-11(8)15-10;8-7(9,10)6-5(4-11)2-1-3-12-6/h3-9,11H,10H2,1-2H3,(H2,23,24,25,26);3-7H,1-2H3,(H,13,14,15);1-3H,4,11H2.
What are the key properties of 4-chloro-N-propan-2-yl-1,8-naphthyridin-2-amine;2-N-propan-2-yl-4-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]-1,8-naphthyridine-2,4-diamine;[2-(trifluoromethyl)-3-pyridinyl]methanamine?
4-chloro-N-propan-2-yl-1,8-naphthyridin-2-amine;2-N-propan-2-yl-4-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]-1,8-naphthyridine-2,4-diamine;[2-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 759.20 g/mol, XLogP of 9.14, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-propan-2-yl-1,8-naphthyridin-2-amine;2-N-propan-2-yl-4-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]-1,8-naphthyridine-2,4-diamine;[2-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 160973370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).