N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide

C22H29N3O4 — CID 3933880

IUPACN-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESCCC(C)(C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C22H29N3O4/c1-3-22(2,21(28)24-17-8-5-4-6-9-17)25(15-18-10-7-13-29-18)20(27)16-11-12-19(26)23-14-16/h7,10-14,17H,3-6,8-9,15H2,1-2H3,(H,23,26)(H,24,28)
InChIKeyDNXDZFBKIKBVMX-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.23
Rot. Bonds7

About N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide

N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 3933880) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID3933880
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC NameN-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESCCC(C)(C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C22H29N3O4/c1-3-22(2,21(28)24-17-8-5-4-6-9-17)25(15-18-10-7-13-29-18)20(27)16-11-12-19(26)23-14-16/h7,10-14,17H,3-6,8-9,15H2,1-2H3,(H,23,26)(H,24,28)
InChIKeyDNXDZFBKIKBVMX-UHFFFAOYSA-N
XLogP3.23
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-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-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 3245139
N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
CID 7107433
N-cyclohexyl-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide
CID 108958927
2-[butanoyl(furan-2-ylmethyl)amino]-N-cyclohexylbutanamide
CID 163170695
2-[bis(furan-2-ylmethyl)amino]-N-cycloheptylacetamide
CID 27118894
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 60654683
N-[(2R)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-methylpyridine-2-carboxamide
CID 6940630
3-cyclobutyl-1-ethyl-1-(furan-2-ylmethyl)urea
CID 115617674
2-[acetyl(furan-2-ylmethyl)amino]-N-cycloheptylacetamide
CID 113161038
N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-phenylpyridine-2-carboxamide
CID 7287866
N-cyclopentyl-2-[furan-2-ylmethyl(methylsulfonyl)amino]acetamide
CID 113150243
2-[but-2-enoyl(furan-2-ylmethyl)amino]-N-cyclohexylbutanamide
CID 163176199

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide (CID 3933880) is N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide is CCC(C)(C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is DNXDZFBKIKBVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-3-22(2,21(28)24-17-8-5-4-6-9-17)25(15-18-10-7-13-29-18)20(27)16-11-12-19(26)23-14-16/h7,10-14,17H,3-6,8-9,15H2,1-2H3,(H,23,26)(H,24,28).
What are the key properties of N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide?
N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 399.49 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 3933880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).