N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide

C22H29N3O2S — CID 4307489

IUPACN-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
SMILESCCC(C)(C(=O)NC1CCCCC1)N(Cc1cccs1)C(=O)c1ccccn1
InChIInChI=1S/C22H29N3O2S/c1-3-22(2,21(27)24-17-10-5-4-6-11-17)25(16-18-12-9-15-28-18)20(26)19-13-7-8-14-23-19/h7-9,12-15,17H,3-6,10-11,16H2,1-2H3,(H,24,27)
InChIKeyMIZTUAPMVLLWBI-UHFFFAOYSA-N
MW399.56 g/mol
LogP4.40
Rot. Bonds7

About N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide

N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 4307489) has the molecular formula C22H29N3O2S and a molecular weight of 399.56 g/mol. Its IUPAC name is N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
PubChem CID4307489
Molecular FormulaC22H29N3O2S
Molecular Weight399.56 g/mol
Exact Mass399.20
IUPAC NameN-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
SMILESCCC(C)(C(=O)NC1CCCCC1)N(Cc1cccs1)C(=O)c1ccccn1
InChIInChI=1S/C22H29N3O2S/c1-3-22(2,21(27)24-17-10-5-4-6-11-17)25(16-18-12-9-15-28-18)20(26)19-13-7-8-14-23-19/h7-9,12-15,17H,3-6,10-11,16H2,1-2H3,(H,24,27)
InChIKeyMIZTUAPMVLLWBI-UHFFFAOYSA-N
XLogP4.40
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.56
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Cephaloridine
CID 5773
N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 573874
N-[1-[(cyclohexylamino)-oxomethyl]cyclohexyl]-N-(thiophen-2-ylmethyl)-2-pyridinecarboxamide
CID 5236771
N-(2-methylsulfanylphenyl)pyridine-2-carboxamide
CID 2442932
2-Thiophenecarboxamide, N-3-pyridinyl-
CID 790407
8-Oxo-3-(pyridin-1-ium-1-ylmethyl)-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CID 5206924
N-{1-[(cyclopentylamino)carbonyl]-1-methylpropyl}-N-methylpyridine-2-carboxamide
CID 3515437
N-[2-(morpholin-4-yl)-2-(thiophen-2-yl)ethyl]pyridine-3-carboxamide
CID 24818196
5-ethyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 24819750
N-[1-[(3-fluoroanilino)carbonyl]-2-(3-pyridinyl)vinyl]-2-thiophenecarboxamide
CID 5370237
N-[(E)-(5-methylthiophen-2-yl)methylideneamino]pyridine-2-carboxamide
CID 6878933
Pyridine-2-carboxylic acid N'-(thiophene-2-carbonyl)-hydrazide
CID 793915

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide (CID 4307489) is N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide is CCC(C)(C(=O)NC1CCCCC1)N(Cc1cccs1)C(=O)c1ccccn1.
What is the InChIKey of N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is MIZTUAPMVLLWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2S/c1-3-22(2,21(27)24-17-10-5-4-6-11-17)25(16-18-12-9-15-28-18)20(26)19-13-7-8-14-23-19/h7-9,12-15,17H,3-6,10-11,16H2,1-2H3,(H,24,27).
What are the key properties of N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide?
N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 399.56 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 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-(thiophen-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 4307489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).