N-[2-[[5-(1-hydroxycyclohexyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyridine-2-carboxamide

C17H20N4O3S — CID 100643587

IUPACN-[2-[[5-(1-hydroxycyclohexyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyridine-2-carboxamide
SMILESO=C(CNC(=O)c1ccccn1)Nc1ncc(C2(O)CCCCC2)s1
InChIInChI=1S/C17H20N4O3S/c22-14(11-19-15(23)12-6-2-5-9-18-12)21-16-20-10-13(25-16)17(24)7-3-1-4-8-17/h2,5-6,9-10,24H,1,3-4,7-8,11H2,(H,19,23)(H,20,21,22)
InChIKeyCVGVYRHTQYKOOB-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.06
Rot. Bonds5

About N-[2-[[5-(1-hydroxycyclohexyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyridine-2-carboxamide

N-[2-[[5-(1-hydroxycyclohexyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyridine-2-carboxamide (PubChem CID 100643587) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[2-[[5-(1-hydroxycyclohexyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[5-(1-hydroxycyclohexyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyridine-2-carboxamide
PubChem CID100643587
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC NameN-[2-[[5-(1-hydroxycyclohexyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyridine-2-carboxamide
SMILESO=C(CNC(=O)c1ccccn1)Nc1ncc(C2(O)CCCCC2)s1
InChIInChI=1S/C17H20N4O3S/c22-14(11-19-15(23)12-6-2-5-9-18-12)21-16-20-10-13(25-16)17(24)7-3-1-4-8-17/h2,5-6,9-10,24H,1,3-4,7-8,11H2,(H,19,23)(H,20,21,22)
InChIKeyCVGVYRHTQYKOOB-UHFFFAOYSA-N
XLogP2.06
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[2-[[5-(1-hydroxycyclohexyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[2-oxo-2-[(5-piperidin-4-yl-1,3-thiazol-2-yl)amino]ethyl]pyridine-2-carboxamide
CID 120998369
N-[2-[(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pyridine-2-carboxamide
CID 88996783
N-[[1-(dimethylamino)cyclohexyl]methyl]pyridine-2-carboxamide
CID 4787654
N-phenacylpyridine-2-carboxamide
CID 64991609
N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2-carboxamide
CID 47108596
N-(5-phenyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 22474590
2-(pyridine-2-carbonylamino)-1,3-thiazole-5-carboxamide
CID 22262890
N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride
CID 119476259
2-(pyridine-2-carbonylamino)acetic acid;thiophene
CID 66951625
N-[[1-(2-bromoethyl)cyclopropyl]methyl]pyridine-2-carboxamide
CID 114758379
N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 110746418
N-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride
CID 119641344

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(1-hydroxycyclohexyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-[[5-(1-hydroxycyclohexyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyridine-2-carboxamide (CID 100643587) is N-[2-[[5-(1-hydroxycyclohexyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[[5-(1-hydroxycyclohexyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[[5-(1-hydroxycyclohexyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyridine-2-carboxamide is O=C(CNC(=O)c1ccccn1)Nc1ncc(C2(O)CCCCC2)s1.
What is the InChIKey of N-[2-[[5-(1-hydroxycyclohexyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyridine-2-carboxamide?
The InChIKey is CVGVYRHTQYKOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c22-14(11-19-15(23)12-6-2-5-9-18-12)21-16-20-10-13(25-16)17(24)7-3-1-4-8-17/h2,5-6,9-10,24H,1,3-4,7-8,11H2,(H,19,23)(H,20,21,22).
What are the key properties of N-[2-[[5-(1-hydroxycyclohexyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyridine-2-carboxamide?
N-[2-[[5-(1-hydroxycyclohexyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyridine-2-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 2.06, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(1-hydroxycyclohexyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyridine-2-carboxamide is sourced from PubChem (CID 100643587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).