4-(3-carbamoyl-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide

C20H19FN6O3 — CID 90135056

IUPAC4-(3-carbamoyl-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1cccc(C(N)=O)c1OC
InChIInChI=1S/C20H19FN6O3/c1-23-20(29)13-10-25-17(27-16-7-6-11(21)9-24-16)8-15(13)26-14-5-3-4-12(19(22)28)18(14)30-2/h3-10H,1-2H3,(H2,22,28)(H,23,29)(H2,24,25,26,27)
InChIKeySHFGZSHVGYQOFV-UHFFFAOYSA-N
MW410.41 g/mol
LogP2.57
Rot. Bonds7

About 4-(3-carbamoyl-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide

4-(3-carbamoyl-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide (PubChem CID 90135056) has the molecular formula C20H19FN6O3 and a molecular weight of 410.41 g/mol. Its IUPAC name is 4-(3-carbamoyl-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-(3-carbamoyl-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
PubChem CID90135056
Molecular FormulaC20H19FN6O3
Molecular Weight410.41 g/mol
Exact Mass410.15
IUPAC Name4-(3-carbamoyl-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1cccc(C(N)=O)c1OC
InChIInChI=1S/C20H19FN6O3/c1-23-20(29)13-10-25-17(27-16-7-6-11(21)9-24-16)8-15(13)26-14-5-3-4-12(19(22)28)18(14)30-2/h3-10H,1-2H3,(H2,22,28)(H,23,29)(H2,24,25,26,27)
InChIKeySHFGZSHVGYQOFV-UHFFFAOYSA-N
XLogP2.57
TPSA131.26 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.41
LogP ≤ 52.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

Vs-4718
CID 25073775
Bms-986202
CID 155981972
Mppf F-18
CID 449646
4-Fluoro-N-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-N-2-pyridinylbenzamide
CID 6603915
Pyridinyl pyrimidine 40
CID 11655925
2-(3-(4-(2-Methoxyphenyl)piperazin-1-yl)propylamino)-N,N-dimethylnicotinamide
CID 9865577
2-[[3-(Trifluoromethyl)phenyl]amino]-N-[3-[4-(2-isopropoxyphenyl)piperazine-1-yl]-2-hydroxypropyl]-3-pyridinecarboxamide
CID 9915752
2-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10499343
1-[2-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propylamino]-3-pyridinyl]-2,2-dimethylpropan-1-one
CID 10525639
2-[3-[4-[2-(cyclopropylmethoxy)phenyl]piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
CID 10526964
N,N-dimethyl-2-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10552132
5-cyano-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
CID 10574245

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbamoyl-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
The IUPAC name of 4-(3-carbamoyl-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide (CID 90135056) is 4-(3-carbamoyl-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-(3-carbamoyl-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 4-(3-carbamoyl-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide is CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1cccc(C(N)=O)c1OC.
What is the InChIKey of 4-(3-carbamoyl-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
The InChIKey is SHFGZSHVGYQOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O3/c1-23-20(29)13-10-25-17(27-16-7-6-11(21)9-24-16)8-15(13)26-14-5-3-4-12(19(22)28)18(14)30-2/h3-10H,1-2H3,(H2,22,28)(H,23,29)(H2,24,25,26,27).
What are the key properties of 4-(3-carbamoyl-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
4-(3-carbamoyl-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide has a molecular weight of 410.41 g/mol, XLogP of 2.57, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carbamoyl-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 90135056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).