N,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,6-naphthyridine-3-carboxamide;2,2,2-trifluoroacetic acid

C18H18F3N5O3 — CID 154891323

IUPACN,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,6-naphthyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1cnc(CN(C)C(=O)c2cc3cnccc3nc2C)[nH]1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H17N5O.C2HF3O2/c1-10-7-18-15(19-10)9-21(3)16(22)13-6-12-8-17-5-4-14(12)20-11(13)2;3-2(4,5)1(6)7/h4-8H,9H2,1-3H3,(H,18,19);(H,6,7)
InChIKeyNFDKRPBJMXDOII-UHFFFAOYSA-N
MW409.37 g/mol
LogP2.88
Rot. Bonds3

About N,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,6-naphthyridine-3-carboxamide;2,2,2-trifluoroacetic acid

N,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,6-naphthyridine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 154891323) has the molecular formula C18H18F3N5O3 and a molecular weight of 409.37 g/mol. Its IUPAC name is N,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,6-naphthyridine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,6-naphthyridine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID154891323
Molecular FormulaC18H18F3N5O3
Molecular Weight409.37 g/mol
Exact Mass409.14
IUPAC NameN,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,6-naphthyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1cnc(CN(C)C(=O)c2cc3cnccc3nc2C)[nH]1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H17N5O.C2HF3O2/c1-10-7-18-15(19-10)9-21(3)16(22)13-6-12-8-17-5-4-14(12)20-11(13)2;3-2(4,5)1(6)7/h4-8H,9H2,1-3H3,(H,18,19);(H,6,7)
InChIKeyNFDKRPBJMXDOII-UHFFFAOYSA-N
XLogP2.88
TPSA112.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.37
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,6-naphthyridine-3-carboxamide
CID 29025025
5-ethylsulfanyl-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 154886451
N,2,6-trimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidine-4-carboxamide
CID 131931862
2-(2-chloro-6-fluorophenyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]ethanamine;bis(2,2,2-trifluoroacetic acid)
CID 154885257
2-[benzyl(methyl)amino]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-phenylpyridine-3-carboxamide
CID 28738025
N,5-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrazine-2-carboxamide
CID 77082230
3-fluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
CID 64950914
N-butan-2-yl-2-methyl-1,6-naphthyridine-3-carboxamide
CID 110848504
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 90649095
6-methoxy-N,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxamide
CID 36917170
3-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide
CID 66484932
N-(furan-2-ylmethyl)-2-methyl-1,6-naphthyridine-3-carboxamide
CID 110850532

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,6-naphthyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,6-naphthyridine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 154891323) is N,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,6-naphthyridine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,6-naphthyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,6-naphthyridine-3-carboxamide;2,2,2-trifluoroacetic acid is Cc1cnc(CN(C)C(=O)c2cc3cnccc3nc2C)[nH]1.O=C(O)C(F)(F)F.
What is the InChIKey of N,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,6-naphthyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is NFDKRPBJMXDOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O.C2HF3O2/c1-10-7-18-15(19-10)9-21(3)16(22)13-6-12-8-17-5-4-14(12)20-11(13)2;3-2(4,5)1(6)7/h4-8H,9H2,1-3H3,(H,18,19);(H,6,7).
What are the key properties of N,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,6-naphthyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
N,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,6-naphthyridine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 409.37 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,6-naphthyridine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154891323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).