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

C14H17N3O2 — CID 115116752

IUPAC5-(aminomethyl)-N-[2-(5-methylfuran-2-yl)ethyl]pyridine-2-carboxamide
SMILESCc1ccc(CCNC(=O)c2ccc(CN)cn2)o1
InChIInChI=1S/C14H17N3O2/c1-10-2-4-12(19-10)6-7-16-14(18)13-5-3-11(8-15)9-17-13/h2-5,9H,6-8,15H2,1H3,(H,16,18)
InChIKeyLEIXCELLSSRDOI-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.41
Rot. Bonds5

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

5-(aminomethyl)-N-[2-(5-methylfuran-2-yl)ethyl]pyridine-2-carboxamide (PubChem CID 115116752) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[2-(5-methylfuran-2-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[2-(5-methylfuran-2-yl)ethyl]pyridine-2-carboxamide
PubChem CID115116752
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name5-(aminomethyl)-N-[2-(5-methylfuran-2-yl)ethyl]pyridine-2-carboxamide
SMILESCc1ccc(CCNC(=O)c2ccc(CN)cn2)o1
InChIInChI=1S/C14H17N3O2/c1-10-2-4-12(19-10)6-7-16-14(18)13-5-3-11(8-15)9-17-13/h2-5,9H,6-8,15H2,1H3,(H,16,18)
InChIKeyLEIXCELLSSRDOI-UHFFFAOYSA-N
XLogP1.41
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 63723030
5-(aminomethyl)-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2-carboxamide
CID 63722692
5-(aminomethyl)-N-[2-(2-bromophenyl)ethyl]pyridine-2-carboxamide
CID 115116754
5-(aminomethyl)-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
CID 63723354
5-(aminomethyl)-N-(2,2-dimethylpropyl)pyridine-2-carboxamide
CID 63724390
4-methoxy-N-[2-(5-methylfuran-2-yl)ethyl]pyridine-2-carboxamide
CID 91778944
N-[2-(5-methylfuran-2-yl)ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 90652745
5-carbamothioyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 63749387
5-(aminomethyl)-N-benzylpyridine-2-carboxamide
CID 55230776
5-(aminomethyl)-N-(2-methylbutyl)pyridine-2-carboxamide
CID 63723883
5-(aminomethyl)-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide
CID 63724906
N-[2-(5-methylfuran-2-yl)ethyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 72853939

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[2-(5-methylfuran-2-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-[2-(5-methylfuran-2-yl)ethyl]pyridine-2-carboxamide (CID 115116752) is 5-(aminomethyl)-N-[2-(5-methylfuran-2-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-[2-(5-methylfuran-2-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-[2-(5-methylfuran-2-yl)ethyl]pyridine-2-carboxamide is Cc1ccc(CCNC(=O)c2ccc(CN)cn2)o1.
What is the InChIKey of 5-(aminomethyl)-N-[2-(5-methylfuran-2-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is LEIXCELLSSRDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-2-4-12(19-10)6-7-16-14(18)13-5-3-11(8-15)9-17-13/h2-5,9H,6-8,15H2,1H3,(H,16,18).
What are the key properties of 5-(aminomethyl)-N-[2-(5-methylfuran-2-yl)ethyl]pyridine-2-carboxamide?
5-(aminomethyl)-N-[2-(5-methylfuran-2-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[2-(5-methylfuran-2-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 115116752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).