N-[[1-(oxane-4-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide

C21H26N4O3S — CID 110234693

IUPACN-[[1-(oxane-4-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
SMILESO=C(NC(c1nccs1)C1CCN(C(=O)C2CCOCC2)CC1)c1ccccn1
InChIInChI=1S/C21H26N4O3S/c26-19(17-3-1-2-8-22-17)24-18(20-23-9-14-29-20)15-4-10-25(11-5-15)21(27)16-6-12-28-13-7-16/h1-3,8-9,14-16,18H,4-7,10-13H2,(H,24,26)
InChIKeyCTRQCRATJZAIRA-UHFFFAOYSA-N
MW414.53 g/mol
LogP2.67
Rot. Bonds5

About N-[[1-(oxane-4-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide

N-[[1-(oxane-4-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide (PubChem CID 110234693) has the molecular formula C21H26N4O3S and a molecular weight of 414.53 g/mol. Its IUPAC name is N-[[1-(oxane-4-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(oxane-4-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
PubChem CID110234693
Molecular FormulaC21H26N4O3S
Molecular Weight414.53 g/mol
Exact Mass414.17
IUPAC NameN-[[1-(oxane-4-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
SMILESO=C(NC(c1nccs1)C1CCN(C(=O)C2CCOCC2)CC1)c1ccccn1
InChIInChI=1S/C21H26N4O3S/c26-19(17-3-1-2-8-22-17)24-18(20-23-9-14-29-20)15-4-10-25(11-5-15)21(27)16-6-12-28-13-7-16/h1-3,8-9,14-16,18H,4-7,10-13H2,(H,24,26)
InChIKeyCTRQCRATJZAIRA-UHFFFAOYSA-N
XLogP2.67
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-(oxane-4-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]pyridine-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-[(3R,4R)-3-hydroxy-1-(oxane-4-carbonyl)piperidin-4-yl]pyridine-2-carboxamide
CID 70721042
N-[(S)-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 93239140
N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide;hydrochloride
CID 171667022
N-[(R)-[(3S)-1-[(2S)-2-phenylpropyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 124818980
N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-4-propan-2-ylpiperidine-1-carboxamide
CID 95968029
N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 110243763
N-[2-methyl-1-[7-(oxolane-3-carbonyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]propyl]pyridine-2-carboxamide
CID 45166451
N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-hydroxy-2-phenylacetamide
CID 111540388
4-cyclopropyl-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 75375387
N-[(S)-[1-[1-(2-methoxyethyl)indole-3-carbonyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide
CID 95854291
N-[oxan-4-yl(thiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 126853665
1-[4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 110814030

Frequently Asked Questions

What is the IUPAC name of N-[[1-(oxane-4-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of N-[[1-(oxane-4-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide (CID 110234693) is N-[[1-(oxane-4-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[[1-(oxane-4-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[[1-(oxane-4-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide is O=C(NC(c1nccs1)C1CCN(C(=O)C2CCOCC2)CC1)c1ccccn1.
What is the InChIKey of N-[[1-(oxane-4-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide?
The InChIKey is CTRQCRATJZAIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S/c26-19(17-3-1-2-8-22-17)24-18(20-23-9-14-29-20)15-4-10-25(11-5-15)21(27)16-6-12-28-13-7-16/h1-3,8-9,14-16,18H,4-7,10-13H2,(H,24,26).
What are the key properties of N-[[1-(oxane-4-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide?
N-[[1-(oxane-4-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide has a molecular weight of 414.53 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(oxane-4-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 110234693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).