N-[6-(3-fluoropyridine-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-1,5-dimethylpyrazole-3-carboxamide

C20H19FN6O2 — CID 155918192

IUPACN-[6-(3-fluoropyridine-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cnc3c(c2)CN(C(=O)c2ccncc2F)CC3)nn1C
InChIInChI=1S/C20H19FN6O2/c1-12-7-18(25-26(12)2)19(28)24-14-8-13-11-27(6-4-17(13)23-9-14)20(29)15-3-5-22-10-16(15)21/h3,5,7-10H,4,6,11H2,1-2H3,(H,24,28)
InChIKeyNGCBXVKZLAVVHH-UHFFFAOYSA-N
MW394.41 g/mol
LogP2.11
Rot. Bonds3

About N-[6-(3-fluoropyridine-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-1,5-dimethylpyrazole-3-carboxamide

N-[6-(3-fluoropyridine-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 155918192) has the molecular formula C20H19FN6O2 and a molecular weight of 394.41 g/mol. Its IUPAC name is N-[6-(3-fluoropyridine-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[6-(3-fluoropyridine-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
PubChem CID155918192
Molecular FormulaC20H19FN6O2
Molecular Weight394.41 g/mol
Exact Mass394.16
IUPAC NameN-[6-(3-fluoropyridine-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cnc3c(c2)CN(C(=O)c2ccncc2F)CC3)nn1C
InChIInChI=1S/C20H19FN6O2/c1-12-7-18(25-26(12)2)19(28)24-14-8-13-11-27(6-4-17(13)23-9-14)20(29)15-3-5-22-10-16(15)21/h3,5,7-10H,4,6,11H2,1-2H3,(H,24,28)
InChIKeyNGCBXVKZLAVVHH-UHFFFAOYSA-N
XLogP2.11
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[6-(3-fluoropyridine-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]propane-2-sulfonamide;formic acid
CID 155972347
(3-fluoro-4-pyridinyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 64949904
N-(6-chloro-5-methyl-3-pyridinyl)-3-fluoropyridine-4-carboxamide
CID 103745275
2-propan-2-yl-N-(6-prop-2-enoyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)benzamide
CID 172888003
N-(3,5-difluorophenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 163344155
(4-cyclopropylidenepiperidin-1-yl)-(3-fluoro-4-pyridinyl)methanone
CID 121184189
N-(3-hydroxy-4-methylphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 113290195
N-(3-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19279593
4-[(1,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid
CID 113263077
3-fluoro-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 103738947
(3-fluoro-4-pyridinyl)-(4-hydroxyiminopiperidin-1-yl)methanone
CID 64950480
(2,4-difluorophenyl)-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
CID 110476783

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-fluoropyridine-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[6-(3-fluoropyridine-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-1,5-dimethylpyrazole-3-carboxamide (CID 155918192) is N-[6-(3-fluoropyridine-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[6-(3-fluoropyridine-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[6-(3-fluoropyridine-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-1,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2cnc3c(c2)CN(C(=O)c2ccncc2F)CC3)nn1C.
What is the InChIKey of N-[6-(3-fluoropyridine-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is NGCBXVKZLAVVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O2/c1-12-7-18(25-26(12)2)19(28)24-14-8-13-11-27(6-4-17(13)23-9-14)20(29)15-3-5-22-10-16(15)21/h3,5,7-10H,4,6,11H2,1-2H3,(H,24,28).
What are the key properties of N-[6-(3-fluoropyridine-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-1,5-dimethylpyrazole-3-carboxamide?
N-[6-(3-fluoropyridine-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 394.41 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-fluoropyridine-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 155918192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).