4-(dimethylamino)-N-[4-(furan-2-yl)-4-oxobutan-2-yl]pyridine-2-carboxamide

C16H19N3O3 — CID 86801279

IUPAC4-(dimethylamino)-N-[4-(furan-2-yl)-4-oxobutan-2-yl]pyridine-2-carboxamide
SMILESCC(CC(=O)c1ccco1)NC(=O)c1cc(N(C)C)ccn1
InChIInChI=1S/C16H19N3O3/c1-11(9-14(20)15-5-4-8-22-15)18-16(21)13-10-12(19(2)3)6-7-17-13/h4-8,10-11H,9H2,1-3H3,(H,18,21)
InChIKeyINQDXVSYWZRHHO-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.13
Rot. Bonds6

About 4-(dimethylamino)-N-[4-(furan-2-yl)-4-oxobutan-2-yl]pyridine-2-carboxamide

4-(dimethylamino)-N-[4-(furan-2-yl)-4-oxobutan-2-yl]pyridine-2-carboxamide (PubChem CID 86801279) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[4-(furan-2-yl)-4-oxobutan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[4-(furan-2-yl)-4-oxobutan-2-yl]pyridine-2-carboxamide
PubChem CID86801279
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name4-(dimethylamino)-N-[4-(furan-2-yl)-4-oxobutan-2-yl]pyridine-2-carboxamide
SMILESCC(CC(=O)c1ccco1)NC(=O)c1cc(N(C)C)ccn1
InChIInChI=1S/C16H19N3O3/c1-11(9-14(20)15-5-4-8-22-15)18-16(21)13-10-12(19(2)3)6-7-17-13/h4-8,10-11H,9H2,1-3H3,(H,18,21)
InChIKeyINQDXVSYWZRHHO-UHFFFAOYSA-N
XLogP2.13
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(furan-2-yl)-4-oxobutan-2-yl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 71919540
N-[(2S)-4-(furan-2-yl)-4-oxobutan-2-yl]-6-pyrazol-1-ylpyridine-2-carboxamide
CID 97086539
3-bromo-N-[(2S)-4-(furan-2-yl)-4-oxobutan-2-yl]furan-2-carboxamide
CID 124591402
2-chloro-4,5-difluoro-N-[4-(furan-2-yl)-4-oxobutan-2-yl]benzamide
CID 122148768
4-(dimethylamino)-N-[(2S)-1-hydroxy-3-pyridin-2-ylpropan-2-yl]pyridine-2-carboxamide
CID 99797738
4-[benzyl(ethyl)amino]-N-propan-2-ylpyridine-2-carboxamide
CID 109201321
4-[benzyl(propan-2-yl)amino]-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109217263
N-[1-(furan-2-yl)propan-2-yl]pyridine-2-carboxamide
CID 42957156
1-[4-(dimethylamino)-2-pyridinyl]ethanone
CID 58420853
N-(4-amino-4-hydroxyiminobutan-2-yl)furan-2-carboxamide
CID 76934841
4-(dimethylamino)-N-(2-oxo-2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 86804656
4-(N-ethylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210693

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[4-(furan-2-yl)-4-oxobutan-2-yl]pyridine-2-carboxamide?
The IUPAC name of 4-(dimethylamino)-N-[4-(furan-2-yl)-4-oxobutan-2-yl]pyridine-2-carboxamide (CID 86801279) is 4-(dimethylamino)-N-[4-(furan-2-yl)-4-oxobutan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(dimethylamino)-N-[4-(furan-2-yl)-4-oxobutan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-(dimethylamino)-N-[4-(furan-2-yl)-4-oxobutan-2-yl]pyridine-2-carboxamide is CC(CC(=O)c1ccco1)NC(=O)c1cc(N(C)C)ccn1.
What is the InChIKey of 4-(dimethylamino)-N-[4-(furan-2-yl)-4-oxobutan-2-yl]pyridine-2-carboxamide?
The InChIKey is INQDXVSYWZRHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11(9-14(20)15-5-4-8-22-15)18-16(21)13-10-12(19(2)3)6-7-17-13/h4-8,10-11H,9H2,1-3H3,(H,18,21).
What are the key properties of 4-(dimethylamino)-N-[4-(furan-2-yl)-4-oxobutan-2-yl]pyridine-2-carboxamide?
4-(dimethylamino)-N-[4-(furan-2-yl)-4-oxobutan-2-yl]pyridine-2-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[4-(furan-2-yl)-4-oxobutan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 86801279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).