6-[(3-hydroxyphenyl)methyl]-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide

C19H21N3O3 — CID 138706673

IUPAC6-[(3-hydroxyphenyl)methyl]-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)N[C@H]2C[C@@H]2C)cc(Cc2cccc(O)c2)n1
InChIInChI=1S/C19H21N3O3/c1-11-6-16(11)22-18(24)13-9-14(21-17(10-13)19(25)20-2)7-12-4-3-5-15(23)8-12/h3-5,8-11,16,23H,6-7H2,1-2H3,(H,20,25)(H,22,24)/t11-,16-/m0/s1
InChIKeyRJUFNYZSIJOCCU-ZBEGNZNMSA-N
MW339.40 g/mol
LogP1.88
Rot. Bonds5

About 6-[(3-hydroxyphenyl)methyl]-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide

6-[(3-hydroxyphenyl)methyl]-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide (PubChem CID 138706673) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 6-[(3-hydroxyphenyl)methyl]-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name6-[(3-hydroxyphenyl)methyl]-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide
PubChem CID138706673
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name6-[(3-hydroxyphenyl)methyl]-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)N[C@H]2C[C@@H]2C)cc(Cc2cccc(O)c2)n1
InChIInChI=1S/C19H21N3O3/c1-11-6-16(11)22-18(24)13-9-14(21-17(10-13)19(25)20-2)7-12-4-3-5-15(23)8-12/h3-5,8-11,16,23H,6-7H2,1-2H3,(H,20,25)(H,22,24)/t11-,16-/m0/s1
InChIKeyRJUFNYZSIJOCCU-ZBEGNZNMSA-N
XLogP1.88
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-hydroxyphenyl)methyl]-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide?
The IUPAC name of 6-[(3-hydroxyphenyl)methyl]-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide (CID 138706673) is 6-[(3-hydroxyphenyl)methyl]-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide.
What is the SMILES notation for 6-[(3-hydroxyphenyl)methyl]-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide?
The canonical SMILES for 6-[(3-hydroxyphenyl)methyl]-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide is CNC(=O)c1cc(C(=O)N[C@H]2C[C@@H]2C)cc(Cc2cccc(O)c2)n1.
What is the InChIKey of 6-[(3-hydroxyphenyl)methyl]-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide?
The InChIKey is RJUFNYZSIJOCCU-ZBEGNZNMSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-11-6-16(11)22-18(24)13-9-14(21-17(10-13)19(25)20-2)7-12-4-3-5-15(23)8-12/h3-5,8-11,16,23H,6-7H2,1-2H3,(H,20,25)(H,22,24)/t11-,16-/m0/s1.
What are the key properties of 6-[(3-hydroxyphenyl)methyl]-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide?
6-[(3-hydroxyphenyl)methyl]-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-hydroxyphenyl)methyl]-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide is sourced from PubChem (CID 138706673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).