5-fluoro-N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-6-methyl-3-pyridinyl]-2-methoxypyridine-3-carboxamide

C24H25F2N5O2 — CID 135349164

IUPAC5-fluoro-N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-6-methyl-3-pyridinyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(F)cc1C(=O)Nc1ccc(C)nc1N1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C24H25F2N5O2/c1-16-3-8-21(29-23(32)20-13-19(26)14-27-24(20)33-2)22(28-16)31-11-9-30(10-12-31)15-17-4-6-18(25)7-5-17/h3-8,13-14H,9-12,15H2,1-2H3,(H,29,32)
InChIKeyGTEVSSCBDVYQGC-UHFFFAOYSA-N
MW453.49 g/mol
LogP3.65
Rot. Bonds6

About 5-fluoro-N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-6-methyl-3-pyridinyl]-2-methoxypyridine-3-carboxamide

5-fluoro-N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-6-methyl-3-pyridinyl]-2-methoxypyridine-3-carboxamide (PubChem CID 135349164) has the molecular formula C24H25F2N5O2 and a molecular weight of 453.49 g/mol. Its IUPAC name is 5-fluoro-N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-6-methyl-3-pyridinyl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-6-methyl-3-pyridinyl]-2-methoxypyridine-3-carboxamide
PubChem CID135349164
Molecular FormulaC24H25F2N5O2
Molecular Weight453.49 g/mol
Exact Mass453.20
IUPAC Name5-fluoro-N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-6-methyl-3-pyridinyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(F)cc1C(=O)Nc1ccc(C)nc1N1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C24H25F2N5O2/c1-16-3-8-21(29-23(32)20-13-19(26)14-27-24(20)33-2)22(28-16)31-11-9-30(10-12-31)15-17-4-6-18(25)7-5-17/h3-8,13-14H,9-12,15H2,1-2H3,(H,29,32)
InChIKeyGTEVSSCBDVYQGC-UHFFFAOYSA-N
XLogP3.65
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.49
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ask1-IN-6
CID 153384510
Dipyridodiazepinone deriv. 36
CID 463556
2-Ethyl-5-fluoro-9-methyl-13-[(pyridin-4-yloxy)methyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470695
2-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}amino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide
CID 16223106
6-(ethylcarbamoylamino)-4-[(4-methoxyphenyl)amino]-~{N}-pyridin-3-yl-pyridine-3-carboxamide
CID 89650975
2-methoxy-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-yl]pyridine-3-carboxamide
CID 153384514
3-amino-N-[4-(2-amino-6-methoxy-4-pyridinyl)-3-pyridinyl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
CID 68184638
Dipyridodiazepinone deriv. 56
CID 463576
Dipyridodiazepinone deriv. 57
CID 463577
Nevirapin 4-substituted deriv. 4c
CID 464523
Nevirapin 4-substituted deriv. 4p
CID 464536
Nevirapin 4-substituted deriv. 4r
CID 464538

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-6-methyl-3-pyridinyl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of 5-fluoro-N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-6-methyl-3-pyridinyl]-2-methoxypyridine-3-carboxamide (CID 135349164) is 5-fluoro-N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-6-methyl-3-pyridinyl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-6-methyl-3-pyridinyl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-6-methyl-3-pyridinyl]-2-methoxypyridine-3-carboxamide is COc1ncc(F)cc1C(=O)Nc1ccc(C)nc1N1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 5-fluoro-N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-6-methyl-3-pyridinyl]-2-methoxypyridine-3-carboxamide?
The InChIKey is GTEVSSCBDVYQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N5O2/c1-16-3-8-21(29-23(32)20-13-19(26)14-27-24(20)33-2)22(28-16)31-11-9-30(10-12-31)15-17-4-6-18(25)7-5-17/h3-8,13-14H,9-12,15H2,1-2H3,(H,29,32).
What are the key properties of 5-fluoro-N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-6-methyl-3-pyridinyl]-2-methoxypyridine-3-carboxamide?
5-fluoro-N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-6-methyl-3-pyridinyl]-2-methoxypyridine-3-carboxamide has a molecular weight of 453.49 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-6-methyl-3-pyridinyl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 135349164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).