2-(aminomethyl)-N-[4-(furan-2-yl)butan-2-yl]pyridine-4-carboxamide

C15H19N3O2 — CID 114326274

IUPAC2-(aminomethyl)-N-[4-(furan-2-yl)butan-2-yl]pyridine-4-carboxamide
SMILESCC(CCc1ccco1)NC(=O)c1ccnc(CN)c1
InChIInChI=1S/C15H19N3O2/c1-11(4-5-14-3-2-8-20-14)18-15(19)12-6-7-17-13(9-12)10-16/h2-3,6-9,11H,4-5,10,16H2,1H3,(H,18,19)
InChIKeyAQWLPVWYZJSWBD-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.88
Rot. Bonds6

About 2-(aminomethyl)-N-[4-(furan-2-yl)butan-2-yl]pyridine-4-carboxamide

2-(aminomethyl)-N-[4-(furan-2-yl)butan-2-yl]pyridine-4-carboxamide (PubChem CID 114326274) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[4-(furan-2-yl)butan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[4-(furan-2-yl)butan-2-yl]pyridine-4-carboxamide
PubChem CID114326274
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-(aminomethyl)-N-[4-(furan-2-yl)butan-2-yl]pyridine-4-carboxamide
SMILESCC(CCc1ccco1)NC(=O)c1ccnc(CN)c1
InChIInChI=1S/C15H19N3O2/c1-11(4-5-14-3-2-8-20-14)18-15(19)12-6-7-17-13(9-12)10-16/h2-3,6-9,11H,4-5,10,16H2,1H3,(H,18,19)
InChIKeyAQWLPVWYZJSWBD-UHFFFAOYSA-N
XLogP1.88
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 61249559
N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 94816789
N-[4-(furan-2-yl)butan-2-yl]-3,4-dihydroxybenzamide
CID 103956281
N-[4-(furan-2-yl)butan-2-yl]-3,5-dihydroxybenzamide
CID 104938782
N-[4-(furan-2-yl)butan-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51091723
3,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 18162420
N-[4-(furan-2-yl)butan-2-yl]-2-oxo-1H-pyridine-4-carboxamide
CID 103763430
2-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 114325720
N-[4-(furan-2-yl)butan-2-yl]-3-methylsulfonylbenzamide
CID 18162440
3-bromo-4-chloro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 107999462
N-[4-(furan-2-yl)butan-2-yl]-3-hydroxy-4-methoxybenzamide
CID 79671902
4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 102851452

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[4-(furan-2-yl)butan-2-yl]pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[4-(furan-2-yl)butan-2-yl]pyridine-4-carboxamide (CID 114326274) is 2-(aminomethyl)-N-[4-(furan-2-yl)butan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[4-(furan-2-yl)butan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[4-(furan-2-yl)butan-2-yl]pyridine-4-carboxamide is CC(CCc1ccco1)NC(=O)c1ccnc(CN)c1.
What is the InChIKey of 2-(aminomethyl)-N-[4-(furan-2-yl)butan-2-yl]pyridine-4-carboxamide?
The InChIKey is AQWLPVWYZJSWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11(4-5-14-3-2-8-20-14)18-15(19)12-6-7-17-13(9-12)10-16/h2-3,6-9,11H,4-5,10,16H2,1H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-N-[4-(furan-2-yl)butan-2-yl]pyridine-4-carboxamide?
2-(aminomethyl)-N-[4-(furan-2-yl)butan-2-yl]pyridine-4-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[4-(furan-2-yl)butan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 114326274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).