5-amino-N-[3-(methoxymethyl)phenyl]pyridine-2-carboxamide

C14H15N3O2 — CID 81317223

IUPAC5-amino-N-[3-(methoxymethyl)phenyl]pyridine-2-carboxamide
SMILESCOCc1cccc(NC(=O)c2ccc(N)cn2)c1
InChIInChI=1S/C14H15N3O2/c1-19-9-10-3-2-4-12(7-10)17-14(18)13-6-5-11(15)8-16-13/h2-8H,9,15H2,1H3,(H,17,18)
InChIKeyZSXAIFRCRCNUCR-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.06
Rot. Bonds4

About 5-amino-N-[3-(methoxymethyl)phenyl]pyridine-2-carboxamide

5-amino-N-[3-(methoxymethyl)phenyl]pyridine-2-carboxamide (PubChem CID 81317223) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-amino-N-[3-(methoxymethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[3-(methoxymethyl)phenyl]pyridine-2-carboxamide
PubChem CID81317223
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name5-amino-N-[3-(methoxymethyl)phenyl]pyridine-2-carboxamide
SMILESCOCc1cccc(NC(=O)c2ccc(N)cn2)c1
InChIInChI=1S/C14H15N3O2/c1-19-9-10-3-2-4-12(7-10)17-14(18)13-6-5-11(15)8-16-13/h2-8H,9,15H2,1H3,(H,17,18)
InChIKeyZSXAIFRCRCNUCR-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 62060991
5-amino-N-(3-methylsulfonylphenyl)pyridine-2-carboxamide
CID 81317410
4-chloro-N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 81227235
4-amino-N-[3-(methoxymethyl)phenyl]-1-methylpyrazole-5-carboxamide
CID 65359651
2-hydrazinyl-N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 62249141
N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 32638262
5-amino-2-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide
CID 103296273
4-hydrazinyl-N-[3-(methoxymethyl)phenyl]benzamide
CID 62247351
2-[[3-(methoxymethyl)phenyl]carbamoyl]benzoyl chloride
CID 142115034
5-amino-N-(3-ethynylphenyl)pyridine-2-carboxamide
CID 81316402
5-[3-(methoxymethyl)anilino]pyrazine-2-carboxylic acid
CID 107372372
5-(aminomethyl)-N-(3-ethylphenyl)pyridine-2-carboxamide
CID 55230586

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[3-(methoxymethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 5-amino-N-[3-(methoxymethyl)phenyl]pyridine-2-carboxamide (CID 81317223) is 5-amino-N-[3-(methoxymethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-N-[3-(methoxymethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-amino-N-[3-(methoxymethyl)phenyl]pyridine-2-carboxamide is COCc1cccc(NC(=O)c2ccc(N)cn2)c1.
What is the InChIKey of 5-amino-N-[3-(methoxymethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is ZSXAIFRCRCNUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-19-9-10-3-2-4-12(7-10)17-14(18)13-6-5-11(15)8-16-13/h2-8H,9,15H2,1H3,(H,17,18).
What are the key properties of 5-amino-N-[3-(methoxymethyl)phenyl]pyridine-2-carboxamide?
5-amino-N-[3-(methoxymethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[3-(methoxymethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 81317223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).