N,N'-bis(3-chloroimidazo[1,2-a]pyridin-6-yl)hexanediamide

C20H18Cl2N6O2 — CID 166210933

IUPACN,N'-bis(3-chloroimidazo[1,2-a]pyridin-6-yl)hexanediamide
SMILESO=C(CCCCC(=O)Nc1ccc2ncc(Cl)n2c1)Nc1ccc2ncc(Cl)n2c1
InChIInChI=1S/C20H18Cl2N6O2/c21-15-9-23-17-7-5-13(11-27(15)17)25-19(29)3-1-2-4-20(30)26-14-6-8-18-24-10-16(22)28(18)12-14/h5-12H,1-4H2,(H,25,29)(H,26,30)
InChIKeyKQBNMTCSFPHBQP-UHFFFAOYSA-N
MW445.31 g/mol
LogP4.43
Rot. Bonds7

About N,N'-bis(3-chloroimidazo[1,2-a]pyridin-6-yl)hexanediamide

N,N'-bis(3-chloroimidazo[1,2-a]pyridin-6-yl)hexanediamide (PubChem CID 166210933) has the molecular formula C20H18Cl2N6O2 and a molecular weight of 445.31 g/mol. Its IUPAC name is N,N'-bis(3-chloroimidazo[1,2-a]pyridin-6-yl)hexanediamide.

Molecular Properties

Compound NameN,N'-bis(3-chloroimidazo[1,2-a]pyridin-6-yl)hexanediamide
PubChem CID166210933
Molecular FormulaC20H18Cl2N6O2
Molecular Weight445.31 g/mol
Exact Mass444.09
IUPAC NameN,N'-bis(3-chloroimidazo[1,2-a]pyridin-6-yl)hexanediamide
SMILESO=C(CCCCC(=O)Nc1ccc2ncc(Cl)n2c1)Nc1ccc2ncc(Cl)n2c1
InChIInChI=1S/C20H18Cl2N6O2/c21-15-9-23-17-7-5-13(11-27(15)17)25-19(29)3-1-2-4-20(30)26-14-6-8-18-24-10-16(22)28(18)12-14/h5-12H,1-4H2,(H,25,29)(H,26,30)
InChIKeyKQBNMTCSFPHBQP-UHFFFAOYSA-N
XLogP4.43
TPSA92.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.31
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromoimidazo[1,2-a]pyridin-6-yl)heptanamide
CID 115274987
4-[(3-methylimidazo[1,2-a]pyridin-6-yl)amino]-4-oxobutanoic acid
CID 39176107
N-pyrazolo[1,5-a]pyrimidin-6-ylbutanamide
CID 166252448
4-chloro-N-(1-methyl-6-oxo-3-pyridinyl)butanamide
CID 63307637
N-(3-bromoimidazo[1,2-a]pyridin-6-yl)-5-methylfuran-2-carboxamide
CID 115274961
4-amino-N-(3,4-dichlorophenyl)butanamide;hydrochloride
CID 119262031
4-amino-N-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]butanamide
CID 39176203
5-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pentanamide
CID 43697910
4-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)butanamide
CID 63307672
6-amino-N-(1-methyl-6-oxo-3-pyridinyl)hexanamide
CID 54863045
4-chloro-N-(3-chloro-4-fluorophenyl)butanamide
CID 3442191
4-amino-N-(3-chloro-4-fluorophenyl)butanamide
CID 22692197

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(3-chloroimidazo[1,2-a]pyridin-6-yl)hexanediamide?
The IUPAC name of N,N'-bis(3-chloroimidazo[1,2-a]pyridin-6-yl)hexanediamide (CID 166210933) is N,N'-bis(3-chloroimidazo[1,2-a]pyridin-6-yl)hexanediamide.
What is the SMILES notation for N,N'-bis(3-chloroimidazo[1,2-a]pyridin-6-yl)hexanediamide?
The canonical SMILES for N,N'-bis(3-chloroimidazo[1,2-a]pyridin-6-yl)hexanediamide is O=C(CCCCC(=O)Nc1ccc2ncc(Cl)n2c1)Nc1ccc2ncc(Cl)n2c1.
What is the InChIKey of N,N'-bis(3-chloroimidazo[1,2-a]pyridin-6-yl)hexanediamide?
The InChIKey is KQBNMTCSFPHBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N6O2/c21-15-9-23-17-7-5-13(11-27(15)17)25-19(29)3-1-2-4-20(30)26-14-6-8-18-24-10-16(22)28(18)12-14/h5-12H,1-4H2,(H,25,29)(H,26,30).
What are the key properties of N,N'-bis(3-chloroimidazo[1,2-a]pyridin-6-yl)hexanediamide?
N,N'-bis(3-chloroimidazo[1,2-a]pyridin-6-yl)hexanediamide has a molecular weight of 445.31 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(3-chloroimidazo[1,2-a]pyridin-6-yl)hexanediamide is sourced from PubChem (CID 166210933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).