N-[[4-[(S)-(cyclobutanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide

C23H30N4O3S — CID 98077263

IUPACN-[[4-[(S)-(cyclobutanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(=O)NCC2CCC([C@H](NC(=O)C3CCC3)c3nccs3)CC2)ccc1=O
InChIInChI=1S/C23H30N4O3S/c1-27-14-18(9-10-19(27)28)21(29)25-13-15-5-7-16(8-6-15)20(23-24-11-12-31-23)26-22(30)17-3-2-4-17/h9-12,14-17,20H,2-8,13H2,1H3,(H,25,29)(H,26,30)/t15?,16?,20-/m0/s1
InChIKeyIPWJCNDVLYRWRB-PMTKGXAQSA-N
MW442.59 g/mol
LogP3.04
Rot. Bonds7

About N-[[4-[(S)-(cyclobutanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide

N-[[4-[(S)-(cyclobutanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 98077263) has the molecular formula C23H30N4O3S and a molecular weight of 442.59 g/mol. Its IUPAC name is N-[[4-[(S)-(cyclobutanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[(S)-(cyclobutanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID98077263
Molecular FormulaC23H30N4O3S
Molecular Weight442.59 g/mol
Exact Mass442.20
IUPAC NameN-[[4-[(S)-(cyclobutanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(=O)NCC2CCC([C@H](NC(=O)C3CCC3)c3nccs3)CC2)ccc1=O
InChIInChI=1S/C23H30N4O3S/c1-27-14-18(9-10-19(27)28)21(29)25-13-15-5-7-16(8-6-15)20(23-24-11-12-31-23)26-22(30)17-3-2-4-17/h9-12,14-17,20H,2-8,13H2,1H3,(H,25,29)(H,26,30)/t15?,16?,20-/m0/s1
InChIKeyIPWJCNDVLYRWRB-PMTKGXAQSA-N
XLogP3.04
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.59
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[4-[(S)-(cyclobutanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide with MolForge

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Related Compounds

N-[[4-[(R)-(cyclopropanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 98077259
N-[[4-[(R)-(cyclobutanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-5-methylthiophene-2-carboxamide
CID 98077255
N-[[4-[(S)-(cyclopropanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-3-fluoro-4-methylbenzamide
CID 98077276
N-[[4-[(S)-acetamido(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclohexanecarboxamide
CID 98077180
N-[[4-(aminomethyl)cyclohexyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 126803241
N-[3-[[cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]propyl]cyclobutanecarboxamide
CID 71978867
N-[2-[[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]ethyl]cyclopentanecarboxamide
CID 97219025
(1R)-N-[[4-[(R)-(2,2-dimethylpropanoylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide
CID 98077240
N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 124607694
N-[[4-(acetamidomethyl)cyclohexyl]-pyridin-2-ylmethyl]cyclobutanecarboxamide
CID 110241999
N-(cyclopropylmethyl)-6-[(3S)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-3-yl]pyridine-3-carboxamide
CID 95834318
1-(cyclobutylmethyl)-3-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-1-methylurea
CID 95968026

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(S)-(cyclobutanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[[4-[(S)-(cyclobutanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide (CID 98077263) is N-[[4-[(S)-(cyclobutanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[[4-[(S)-(cyclobutanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[[4-[(S)-(cyclobutanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide is Cn1cc(C(=O)NCC2CCC([C@H](NC(=O)C3CCC3)c3nccs3)CC2)ccc1=O.
What is the InChIKey of N-[[4-[(S)-(cyclobutanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is IPWJCNDVLYRWRB-PMTKGXAQSA-N. The full InChI is InChI=1S/C23H30N4O3S/c1-27-14-18(9-10-19(27)28)21(29)25-13-15-5-7-16(8-6-15)20(23-24-11-12-31-23)26-22(30)17-3-2-4-17/h9-12,14-17,20H,2-8,13H2,1H3,(H,25,29)(H,26,30)/t15?,16?,20-/m0/s1.
What are the key properties of N-[[4-[(S)-(cyclobutanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide?
N-[[4-[(S)-(cyclobutanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 442.59 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(S)-(cyclobutanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 98077263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).