N-(3-imidazol-1-ylpropyl)-6-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide

C22H26N6O2S — CID 68739075

IUPACN-(3-imidazol-1-ylpropyl)-6-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCc1ccsc1C(=O)N1CCN(c2ccc(C(=O)NCCCn3ccnc3)cn2)CC1
InChIInChI=1S/C22H26N6O2S/c1-17-5-14-31-20(17)22(30)28-12-10-27(11-13-28)19-4-3-18(15-25-19)21(29)24-6-2-8-26-9-7-23-16-26/h3-5,7,9,14-16H,2,6,8,10-13H2,1H3,(H,24,29)
InChIKeySNWBXSCZEACNKU-UHFFFAOYSA-N
MW438.56 g/mol
LogP2.43
Rot. Bonds7

About N-(3-imidazol-1-ylpropyl)-6-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide

N-(3-imidazol-1-ylpropyl)-6-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 68739075) has the molecular formula C22H26N6O2S and a molecular weight of 438.56 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-6-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-6-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
PubChem CID68739075
Molecular FormulaC22H26N6O2S
Molecular Weight438.56 g/mol
Exact Mass438.18
IUPAC NameN-(3-imidazol-1-ylpropyl)-6-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCc1ccsc1C(=O)N1CCN(c2ccc(C(=O)NCCCn3ccnc3)cn2)CC1
InChIInChI=1S/C22H26N6O2S/c1-17-5-14-31-20(17)22(30)28-12-10-27(11-13-28)19-4-3-18(15-25-19)21(29)24-6-2-8-26-9-7-23-16-26/h3-5,7,9,14-16H,2,6,8,10-13H2,1H3,(H,24,29)
InChIKeySNWBXSCZEACNKU-UHFFFAOYSA-N
XLogP2.43
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.56
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(4-imidazol-1-ylbutyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 47073596
N-(3-imidazol-1-ylpropyl)-3-iodo-4-methylbenzamide
CID 118203012
4-amino-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 28993545
4-fluoro-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 63212783
N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride
CID 6603491
N-(3-imidazol-1-ylpropyl)-1-methylpyridin-1-ium-4-carboxamide
CID 39847983
4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53351812
2-N,4-N-bis(3-imidazol-1-ylpropyl)pyridine-2,4-dicarboxamide
CID 10177866
N-pentyl-6-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide
CID 68737275
N-(3-imidazol-1-ylpropyl)isoquinoline-6-carboxamide
CID 110485164
N-(3-imidazol-1-ylpropyl)-6-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 100731866
N-hexyl-6-[4-(naphthalene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 68737746

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-6-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-6-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide (CID 68739075) is N-(3-imidazol-1-ylpropyl)-6-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-6-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-6-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide is Cc1ccsc1C(=O)N1CCN(c2ccc(C(=O)NCCCn3ccnc3)cn2)CC1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-6-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is SNWBXSCZEACNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2S/c1-17-5-14-31-20(17)22(30)28-12-10-27(11-13-28)19-4-3-18(15-25-19)21(29)24-6-2-8-26-9-7-23-16-26/h3-5,7,9,14-16H,2,6,8,10-13H2,1H3,(H,24,29).
What are the key properties of N-(3-imidazol-1-ylpropyl)-6-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide?
N-(3-imidazol-1-ylpropyl)-6-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 438.56 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-6-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 68739075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).