2-N,4-N-bis(3-imidazol-1-ylpropyl)pyridine-2,4-dicarboxamide

C19H23N7O2 — CID 10177866

IUPAC2-N,4-N-bis(3-imidazol-1-ylpropyl)pyridine-2,4-dicarboxamide
SMILESO=C(NCCCn1ccnc1)c1ccnc(C(=O)NCCCn2ccnc2)c1
InChIInChI=1S/C19H23N7O2/c27-18(23-4-1-9-25-11-7-20-14-25)16-3-6-22-17(13-16)19(28)24-5-2-10-26-12-8-21-15-26/h3,6-8,11-15H,1-2,4-5,9-10H2,(H,23,27)(H,24,28)
InChIKeyXLJHTMIKAZOPCF-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.11
Rot. Bonds10

About 2-N,4-N-bis(3-imidazol-1-ylpropyl)pyridine-2,4-dicarboxamide

2-N,4-N-bis(3-imidazol-1-ylpropyl)pyridine-2,4-dicarboxamide (PubChem CID 10177866) has the molecular formula C19H23N7O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-N,4-N-bis(3-imidazol-1-ylpropyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N,4-N-bis(3-imidazol-1-ylpropyl)pyridine-2,4-dicarboxamide
PubChem CID10177866
Molecular FormulaC19H23N7O2
Molecular Weight381.44 g/mol
Exact Mass381.19
IUPAC Name2-N,4-N-bis(3-imidazol-1-ylpropyl)pyridine-2,4-dicarboxamide
SMILESO=C(NCCCn1ccnc1)c1ccnc(C(=O)NCCCn2ccnc2)c1
InChIInChI=1S/C19H23N7O2/c27-18(23-4-1-9-25-11-7-20-14-25)16-3-6-22-17(13-16)19(28)24-5-2-10-26-12-8-21-15-26/h3,6-8,11-15H,1-2,4-5,9-10H2,(H,23,27)(H,24,28)
InChIKeyXLJHTMIKAZOPCF-UHFFFAOYSA-N
XLogP1.11
TPSA106.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 61229321
4-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 62175846
N-(3-imidazol-1-ylpropyl)-3-iodo-4-methylbenzamide
CID 118203012
3-(chloromethyl)-N-(3-imidazol-1-ylpropyl)benzamide
CID 43333555
4-amino-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 28993545
4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53351812
N-(3-imidazol-1-ylpropyl)isoquinoline-6-carboxamide
CID 110485164
N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 17395173
4-fluoro-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 63212783
4-amino-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide
CID 104782388
N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride
CID 6603491
N-(3-imidazol-1-ylpropyl)-3-(1,2,4-triazol-4-yl)benzamide
CID 77097246

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(3-imidazol-1-ylpropyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N,4-N-bis(3-imidazol-1-ylpropyl)pyridine-2,4-dicarboxamide (CID 10177866) is 2-N,4-N-bis(3-imidazol-1-ylpropyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N,4-N-bis(3-imidazol-1-ylpropyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N,4-N-bis(3-imidazol-1-ylpropyl)pyridine-2,4-dicarboxamide is O=C(NCCCn1ccnc1)c1ccnc(C(=O)NCCCn2ccnc2)c1.
What is the InChIKey of 2-N,4-N-bis(3-imidazol-1-ylpropyl)pyridine-2,4-dicarboxamide?
The InChIKey is XLJHTMIKAZOPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2/c27-18(23-4-1-9-25-11-7-20-14-25)16-3-6-22-17(13-16)19(28)24-5-2-10-26-12-8-21-15-26/h3,6-8,11-15H,1-2,4-5,9-10H2,(H,23,27)(H,24,28).
What are the key properties of 2-N,4-N-bis(3-imidazol-1-ylpropyl)pyridine-2,4-dicarboxamide?
2-N,4-N-bis(3-imidazol-1-ylpropyl)pyridine-2,4-dicarboxamide has a molecular weight of 381.44 g/mol, XLogP of 1.11, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(3-imidazol-1-ylpropyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 10177866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).