N-imidazol-1-yl-11-(2-pyridin-2-yl-4-pyridinyl)undecanamide

C24H31N5O — CID 101021022

IUPACN-imidazol-1-yl-11-(2-pyridin-2-yl-4-pyridinyl)undecanamide
SMILESO=C(CCCCCCCCCCc1ccnc(-c2ccccn2)c1)Nn1ccnc1
InChIInChI=1S/C24H31N5O/c30-24(28-29-18-17-25-20-29)13-8-6-4-2-1-3-5-7-11-21-14-16-27-23(19-21)22-12-9-10-15-26-22/h9-10,12,14-20H,1-8,11,13H2,(H,28,30)
InChIKeyYCQYLNPSEKWUBE-UHFFFAOYSA-N
MW405.55 g/mol
LogP5.16
Rot. Bonds13

About N-imidazol-1-yl-11-(2-pyridin-2-yl-4-pyridinyl)undecanamide

N-imidazol-1-yl-11-(2-pyridin-2-yl-4-pyridinyl)undecanamide (PubChem CID 101021022) has the molecular formula C24H31N5O and a molecular weight of 405.55 g/mol. Its IUPAC name is N-imidazol-1-yl-11-(2-pyridin-2-yl-4-pyridinyl)undecanamide.

Molecular Properties

Compound NameN-imidazol-1-yl-11-(2-pyridin-2-yl-4-pyridinyl)undecanamide
PubChem CID101021022
Molecular FormulaC24H31N5O
Molecular Weight405.55 g/mol
Exact Mass405.25
IUPAC NameN-imidazol-1-yl-11-(2-pyridin-2-yl-4-pyridinyl)undecanamide
SMILESO=C(CCCCCCCCCCc1ccnc(-c2ccccn2)c1)Nn1ccnc1
InChIInChI=1S/C24H31N5O/c30-24(28-29-18-17-25-20-29)13-8-6-4-2-1-3-5-7-11-21-14-16-27-23(19-21)22-12-9-10-15-26-22/h9-10,12,14-20H,1-8,11,13H2,(H,28,30)
InChIKeyYCQYLNPSEKWUBE-UHFFFAOYSA-N
XLogP5.16
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.55
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(2-pyridin-2-yl-4-pyridinyl)pentanoic acid
CID 121355471
dichlororuthenium;2-pyridin-2-ylpyridine;4-(2-pyridin-2-yl-4-pyridinyl)butanoic acid
CID 140718230
7-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]heptanoic acid
CID 121355475
4-(2-pyridin-2-yl-4-pyridinyl)-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]butanamide
CID 177401230
4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butanoic acid;molecular fluorine;molecular iodine;bis(2-pyridin-2-ylpyridine);ruthenium(1+);tetrafluoro-(tetrafluoro-λ5-phosphanyl)-λ5-phosphane
CID 161329789
4-hydroxy-13-[2-[3-[2-[2-[2-(3-pyridin-2-ylphenyl)ethoxy]ethoxy]ethyl]phenyl]-4-pyridinyl]tridec-3-en-2-one
CID 140678940
1-(2-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)-7-phenylheptan-1-one
CID 24948917
4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-N-(2,4,4-trimethylhex-5-yn-2-yl)butanamide
CID 178165531
4-(2,6-dipyridin-2-yl-4-pyridinyl)butan-1-ol
CID 15857587
4-nonadecyl-2-(4-nonadecyl-2-pyridinyl)pyridine
CID 12503697
6-[2-[4-(6-sulfanylhexyl)-2-pyridinyl]-4-pyridinyl]hexane-1-thiol
CID 122371372
2-(4-decyl-2-pyridinyl)-4-octylpyridine
CID 102418537

Frequently Asked Questions

What is the IUPAC name of N-imidazol-1-yl-11-(2-pyridin-2-yl-4-pyridinyl)undecanamide?
The IUPAC name of N-imidazol-1-yl-11-(2-pyridin-2-yl-4-pyridinyl)undecanamide (CID 101021022) is N-imidazol-1-yl-11-(2-pyridin-2-yl-4-pyridinyl)undecanamide.
What is the SMILES notation for N-imidazol-1-yl-11-(2-pyridin-2-yl-4-pyridinyl)undecanamide?
The canonical SMILES for N-imidazol-1-yl-11-(2-pyridin-2-yl-4-pyridinyl)undecanamide is O=C(CCCCCCCCCCc1ccnc(-c2ccccn2)c1)Nn1ccnc1.
What is the InChIKey of N-imidazol-1-yl-11-(2-pyridin-2-yl-4-pyridinyl)undecanamide?
The InChIKey is YCQYLNPSEKWUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O/c30-24(28-29-18-17-25-20-29)13-8-6-4-2-1-3-5-7-11-21-14-16-27-23(19-21)22-12-9-10-15-26-22/h9-10,12,14-20H,1-8,11,13H2,(H,28,30).
What are the key properties of N-imidazol-1-yl-11-(2-pyridin-2-yl-4-pyridinyl)undecanamide?
N-imidazol-1-yl-11-(2-pyridin-2-yl-4-pyridinyl)undecanamide has a molecular weight of 405.55 g/mol, XLogP of 5.16, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-imidazol-1-yl-11-(2-pyridin-2-yl-4-pyridinyl)undecanamide is sourced from PubChem (CID 101021022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).