N-(3-imidazol-1-ylpropyl)-6-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide

C16H20N4O2S — CID 100731866

IUPACN-(3-imidazol-1-ylpropyl)-6-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
SMILESO=C(NCCCn1ccnc1)c1ccc(O[C@@H]2CCSC2)nc1
InChIInChI=1S/C16H20N4O2S/c21-16(18-5-1-7-20-8-6-17-12-20)13-2-3-15(19-10-13)22-14-4-9-23-11-14/h2-3,6,8,10,12,14H,1,4-5,7,9,11H2,(H,18,21)/t14-/m1/s1
InChIKeyHATQIRTWWZHNJN-CQSZACIVSA-N
MW332.43 g/mol
LogP1.98
Rot. Bonds7

About N-(3-imidazol-1-ylpropyl)-6-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide

N-(3-imidazol-1-ylpropyl)-6-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide (PubChem CID 100731866) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-6-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-6-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
PubChem CID100731866
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-(3-imidazol-1-ylpropyl)-6-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
SMILESO=C(NCCCn1ccnc1)c1ccc(O[C@@H]2CCSC2)nc1
InChIInChI=1S/C16H20N4O2S/c21-16(18-5-1-7-20-8-6-17-12-20)13-2-3-15(19-10-13)22-14-4-9-23-11-14/h2-3,6,8,10,12,14H,1,4-5,7,9,11H2,(H,18,21)/t14-/m1/s1
InChIKeyHATQIRTWWZHNJN-CQSZACIVSA-N
XLogP1.98
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[[6-[(3S)-thiolan-3-yl]oxypyridine-3-carbonyl]amino]ethyl]carbamate
CID 100733178
N-(1-hydroxy-2-methylpropan-2-yl)-6-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 100731769
4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53351812
4-(cyclopropylamino)-N-(3-imidazol-1-ylpropyl)-3-nitrobenzamide
CID 35513167
N-(3-imidazol-1-ylpropyl)isoquinoline-6-carboxamide
CID 110485164
N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride
CID 6603491
N-(4-imidazol-1-ylbutyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 47073596
6-chloro-N-(2-imidazol-1-ylethyl)pyridine-3-carboxamide
CID 47142380
N-(3-imidazol-1-ylpropyl)-1-methylpyridin-1-ium-4-carboxamide
CID 39847983
N-methoxy-N-methyl-6-(thiolan-3-yloxy)pyridine-3-carboxamide
CID 91815546
5-carbamothioyl-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide
CID 63724768
2-N,4-N-bis(3-imidazol-1-ylpropyl)pyridine-2,4-dicarboxamide
CID 10177866

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-6-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-6-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide (CID 100731866) is N-(3-imidazol-1-ylpropyl)-6-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-6-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-6-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide is O=C(NCCCn1ccnc1)c1ccc(O[C@@H]2CCSC2)nc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-6-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide?
The InChIKey is HATQIRTWWZHNJN-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20N4O2S/c21-16(18-5-1-7-20-8-6-17-12-20)13-2-3-15(19-10-13)22-14-4-9-23-11-14/h2-3,6,8,10,12,14H,1,4-5,7,9,11H2,(H,18,21)/t14-/m1/s1.
What are the key properties of N-(3-imidazol-1-ylpropyl)-6-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide?
N-(3-imidazol-1-ylpropyl)-6-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-6-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide is sourced from PubChem (CID 100731866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).