6-anilino-4-(benzylamino)pyridine-3-carboxamide

C19H18N4O — CID 58450666

IUPAC6-anilino-4-(benzylamino)pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Nc2ccccc2)cc1NCc1ccccc1
InChIInChI=1S/C19H18N4O/c20-19(24)16-13-22-18(23-15-9-5-2-6-10-15)11-17(16)21-12-14-7-3-1-4-8-14/h1-11,13H,12H2,(H2,20,24)(H2,21,22,23)
InChIKeyLEZRKHYUYFBMKL-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.54
Rot. Bonds6

About 6-anilino-4-(benzylamino)pyridine-3-carboxamide

6-anilino-4-(benzylamino)pyridine-3-carboxamide (PubChem CID 58450666) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 6-anilino-4-(benzylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-anilino-4-(benzylamino)pyridine-3-carboxamide
PubChem CID58450666
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name6-anilino-4-(benzylamino)pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Nc2ccccc2)cc1NCc1ccccc1
InChIInChI=1S/C19H18N4O/c20-19(24)16-13-22-18(23-15-9-5-2-6-10-15)11-17(16)21-12-14-7-3-1-4-8-14/h1-11,13H,12H2,(H2,20,24)(H2,21,22,23)
InChIKeyLEZRKHYUYFBMKL-UHFFFAOYSA-N
XLogP3.54
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-anilino-4-(benzylamino)pyridine-3-carboxamide?
The IUPAC name of 6-anilino-4-(benzylamino)pyridine-3-carboxamide (CID 58450666) is 6-anilino-4-(benzylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-anilino-4-(benzylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-anilino-4-(benzylamino)pyridine-3-carboxamide is NC(=O)c1cnc(Nc2ccccc2)cc1NCc1ccccc1.
What is the InChIKey of 6-anilino-4-(benzylamino)pyridine-3-carboxamide?
The InChIKey is LEZRKHYUYFBMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c20-19(24)16-13-22-18(23-15-9-5-2-6-10-15)11-17(16)21-12-14-7-3-1-4-8-14/h1-11,13H,12H2,(H2,20,24)(H2,21,22,23).
What are the key properties of 6-anilino-4-(benzylamino)pyridine-3-carboxamide?
6-anilino-4-(benzylamino)pyridine-3-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 3.54, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-4-(benzylamino)pyridine-3-carboxamide is sourced from PubChem (CID 58450666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).