2-amino-5-phenyl-4-(pyridin-3-ylmethylamino)pyridine-3-carboxamide

C18H17N5O — CID 175375704

IUPAC2-amino-5-phenyl-4-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
SMILESNC(=O)c1c(N)ncc(-c2ccccc2)c1NCc1cccnc1
InChIInChI=1S/C18H17N5O/c19-17-15(18(20)24)16(22-10-12-5-4-8-21-9-12)14(11-23-17)13-6-2-1-3-7-13/h1-9,11H,10H2,(H2,20,24)(H3,19,22,23)
InChIKeyZLHZTZJJNBIYHY-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.44
Rot. Bonds5

About 2-amino-5-phenyl-4-(pyridin-3-ylmethylamino)pyridine-3-carboxamide

2-amino-5-phenyl-4-(pyridin-3-ylmethylamino)pyridine-3-carboxamide (PubChem CID 175375704) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 2-amino-5-phenyl-4-(pyridin-3-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-phenyl-4-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
PubChem CID175375704
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name2-amino-5-phenyl-4-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
SMILESNC(=O)c1c(N)ncc(-c2ccccc2)c1NCc1cccnc1
InChIInChI=1S/C18H17N5O/c19-17-15(18(20)24)16(22-10-12-5-4-8-21-9-12)14(11-23-17)13-6-2-1-3-7-13/h1-9,11H,10H2,(H2,20,24)(H3,19,22,23)
InChIKeyZLHZTZJJNBIYHY-UHFFFAOYSA-N
XLogP2.44
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-phenyl-4-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-phenyl-4-(pyridin-3-ylmethylamino)pyridine-3-carboxamide (CID 175375704) is 2-amino-5-phenyl-4-(pyridin-3-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-phenyl-4-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-phenyl-4-(pyridin-3-ylmethylamino)pyridine-3-carboxamide is NC(=O)c1c(N)ncc(-c2ccccc2)c1NCc1cccnc1.
What is the InChIKey of 2-amino-5-phenyl-4-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is ZLHZTZJJNBIYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c19-17-15(18(20)24)16(22-10-12-5-4-8-21-9-12)14(11-23-17)13-6-2-1-3-7-13/h1-9,11H,10H2,(H2,20,24)(H3,19,22,23).
What are the key properties of 2-amino-5-phenyl-4-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
2-amino-5-phenyl-4-(pyridin-3-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 319.37 g/mol, XLogP of 2.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-phenyl-4-(pyridin-3-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 175375704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).