N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]furan-2-carboxamide

C17H21N3O3 — CID 78775760

IUPACN-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]furan-2-carboxamide
SMILESCC(NC(=O)C(NC(=O)c1ccco1)C(C)C)c1ccncc1
InChIInChI=1S/C17H21N3O3/c1-11(2)15(20-16(21)14-5-4-10-23-14)17(22)19-12(3)13-6-8-18-9-7-13/h4-12,15H,1-3H3,(H,19,22)(H,20,21)
InChIKeyLCDZVTLSFKDZNS-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.31
Rot. Bonds6

About N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]furan-2-carboxamide

N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]furan-2-carboxamide (PubChem CID 78775760) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]furan-2-carboxamide
PubChem CID78775760
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]furan-2-carboxamide
SMILESCC(NC(=O)C(NC(=O)c1ccco1)C(C)C)c1ccncc1
InChIInChI=1S/C17H21N3O3/c1-11(2)15(20-16(21)14-5-4-10-23-14)17(22)19-12(3)13-6-8-18-9-7-13/h4-12,15H,1-3H3,(H,19,22)(H,20,21)
InChIKeyLCDZVTLSFKDZNS-UHFFFAOYSA-N
XLogP2.31
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-oxo-3-phenyl-1-(1-pyridin-4-ylethylamino)propan-2-yl]furan-2-carboxamide
CID 78775920
N-[1-[1-(2-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 78771444
N-[1-(methoxyamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 51279310
N-[(2S)-3-methyl-1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]furan-2-carboxamide
CID 7611111
N-[1-(1-hydroxybutan-2-ylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 110878208
2-methoxy-N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]benzamide
CID 78775630
N-[(2S)-3-methyl-1-oxo-1-[[(2R,3S)-3-(1,2,4-triazol-1-yl)butan-2-yl]amino]butan-2-yl]furan-2-carboxamide
CID 124731341
N-[1-(4-bromophenyl)ethyl]furan-2-carboxamide
CID 2919180
N-[1-(3-hydroxyanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 78783328
N-[(2S)-3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]furan-2-carboxamide
CID 9138688
N-[3-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl]furan-2-carboxamide
CID 51154431
2,4-dichloro-N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]benzamide
CID 18145573

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]furan-2-carboxamide (CID 78775760) is N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]furan-2-carboxamide is CC(NC(=O)C(NC(=O)c1ccco1)C(C)C)c1ccncc1.
What is the InChIKey of N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]furan-2-carboxamide?
The InChIKey is LCDZVTLSFKDZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11(2)15(20-16(21)14-5-4-10-23-14)17(22)19-12(3)13-6-8-18-9-7-13/h4-12,15H,1-3H3,(H,19,22)(H,20,21).
What are the key properties of N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]furan-2-carboxamide?
N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]furan-2-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 78775760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).