2-amino-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide

C14H15N3O2 — CID 53334705

IUPAC2-amino-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2cccnc2N)c1
InChIInChI=1S/C14H15N3O2/c1-19-11-5-2-4-10(8-11)9-17-14(18)12-6-3-7-16-13(12)15/h2-8H,9H2,1H3,(H2,15,16)(H,17,18)
InChIKeyUYVNIGJRDRCJHT-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.60
Rot. Bonds4

About 2-amino-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide

2-amino-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 53334705) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-amino-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID53334705
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-amino-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2cccnc2N)c1
InChIInChI=1S/C14H15N3O2/c1-19-11-5-2-4-10(8-11)9-17-14(18)12-6-3-7-16-13(12)15/h2-8H,9H2,1H3,(H2,15,16)(H,17,18)
InChIKeyUYVNIGJRDRCJHT-UHFFFAOYSA-N
XLogP1.60
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide (CID 53334705) is 2-amino-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide is COc1cccc(CNC(=O)c2cccnc2N)c1.
What is the InChIKey of 2-amino-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is UYVNIGJRDRCJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-19-11-5-2-4-10(8-11)9-17-14(18)12-6-3-7-16-13(12)15/h2-8H,9H2,1H3,(H2,15,16)(H,17,18).
What are the key properties of 2-amino-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide?
2-amino-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 53334705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).