5-(aminomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide

C14H17N3O2 — CID 63723030

IUPAC5-(aminomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2ccc(CN)cn2)o1
InChIInChI=1S/C14H17N3O2/c1-10-3-5-12(19-10)9-17(2)14(18)13-6-4-11(7-15)8-16-13/h3-6,8H,7,9,15H2,1-2H3
InChIKeyTYPFYDXYIFSZTE-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.71
Rot. Bonds4

About 5-(aminomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide

5-(aminomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide (PubChem CID 63723030) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-(aminomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
PubChem CID63723030
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name5-(aminomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2ccc(CN)cn2)o1
InChIInChI=1S/C14H17N3O2/c1-10-3-5-12(19-10)9-17(2)14(18)13-6-4-11(7-15)8-16-13/h3-6,8H,7,9,15H2,1-2H3
InChIKeyTYPFYDXYIFSZTE-UHFFFAOYSA-N
XLogP1.71
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 55152124
5-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 55230950
5-(aminomethyl)-N-[2-(5-methylfuran-2-yl)ethyl]pyridine-2-carboxamide
CID 115116752
2-[4-(aminomethyl)phenyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 63590309
5-amino-N-[(5-bromofuran-2-yl)methyl]-N-methylpyridine-2-carboxamide
CID 81316878
6-bromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 103875027
5-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 63722518
5-(aminomethyl)-N-(3-methoxypropyl)-N-methylpyridine-2-carboxamide
CID 63722720
3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 113447596
5-(aminomethyl)-N-(2-ethoxyethyl)-N-methylpyridine-2-carboxamide
CID 81053194
5-(aminomethyl)-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 63724401
5-(aminomethyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
CID 63723539

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide (CID 63723030) is 5-(aminomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide is Cc1ccc(CN(C)C(=O)c2ccc(CN)cn2)o1.
What is the InChIKey of 5-(aminomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide?
The InChIKey is TYPFYDXYIFSZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-3-5-12(19-10)9-17(2)14(18)13-6-4-11(7-15)8-16-13/h3-6,8H,7,9,15H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide?
5-(aminomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 63723030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).