5-(aminomethyl)-N-methylpyridine-2-carboxamide

C8H11N3O — CID 63723518

IUPAC5-(aminomethyl)-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(CN)cn1
InChIInChI=1S/C8H11N3O/c1-10-8(12)7-3-2-6(4-9)5-11-7/h2-3,5H,4,9H2,1H3,(H,10,12)
InChIKeyDILRSYOBQDTVPT-UHFFFAOYSA-N
MW165.20 g/mol
LogP-0.10
Rot. Bonds2

About 5-(aminomethyl)-N-methylpyridine-2-carboxamide

5-(aminomethyl)-N-methylpyridine-2-carboxamide (PubChem CID 63723518) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 5-(aminomethyl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-methylpyridine-2-carboxamide
PubChem CID63723518
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name5-(aminomethyl)-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(CN)cn1
InChIInChI=1S/C8H11N3O/c1-10-8(12)7-3-2-6(4-9)5-11-7/h2-3,5H,4,9H2,1H3,(H,10,12)
InChIKeyDILRSYOBQDTVPT-UHFFFAOYSA-N
XLogP-0.10
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-methylpyridine-2-carboxamide (CID 63723518) is 5-(aminomethyl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(CN)cn1.
What is the InChIKey of 5-(aminomethyl)-N-methylpyridine-2-carboxamide?
The InChIKey is DILRSYOBQDTVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-10-8(12)7-3-2-6(4-9)5-11-7/h2-3,5H,4,9H2,1H3,(H,10,12).
What are the key properties of 5-(aminomethyl)-N-methylpyridine-2-carboxamide?
5-(aminomethyl)-N-methylpyridine-2-carboxamide has a molecular weight of 165.20 g/mol, XLogP of -0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 63723518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).