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

C19H17FN6O2 — CID 118473558

IUPAC4-(2-carbamoylanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1C(N)=O
InChIInChI=1S/C19H17FN6O2/c1-22-19(28)13-10-24-17(26-16-7-6-11(20)9-23-16)8-15(13)25-14-5-3-2-4-12(14)18(21)27/h2-10H,1H3,(H2,21,27)(H,22,28)(H2,23,24,25,26)
InChIKeyFFYLSLMDLCQSRS-UHFFFAOYSA-N
MW380.38 g/mol
LogP2.56
Rot. Bonds6

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

4-(2-carbamoylanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide (PubChem CID 118473558) has the molecular formula C19H17FN6O2 and a molecular weight of 380.38 g/mol. Its IUPAC name is 4-(2-carbamoylanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-(2-carbamoylanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
PubChem CID118473558
Molecular FormulaC19H17FN6O2
Molecular Weight380.38 g/mol
Exact Mass380.14
IUPAC Name4-(2-carbamoylanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1C(N)=O
InChIInChI=1S/C19H17FN6O2/c1-22-19(28)13-10-24-17(26-16-7-6-11(20)9-23-16)8-15(13)25-14-5-3-2-4-12(14)18(21)27/h2-10H,1H3,(H2,21,27)(H,22,28)(H2,23,24,25,26)
InChIKeyFFYLSLMDLCQSRS-UHFFFAOYSA-N
XLogP2.56
TPSA122.03 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-carbamoylanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
The IUPAC name of 4-(2-carbamoylanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide (CID 118473558) is 4-(2-carbamoylanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-(2-carbamoylanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 4-(2-carbamoylanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide is CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1C(N)=O.
What is the InChIKey of 4-(2-carbamoylanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
The InChIKey is FFYLSLMDLCQSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O2/c1-22-19(28)13-10-24-17(26-16-7-6-11(20)9-23-16)8-15(13)25-14-5-3-2-4-12(14)18(21)27/h2-10H,1H3,(H2,21,27)(H,22,28)(H2,23,24,25,26).
What are the key properties of 4-(2-carbamoylanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide?
4-(2-carbamoylanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide has a molecular weight of 380.38 g/mol, XLogP of 2.56, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-carbamoylanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 118473558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).