N,N'-bis(pyridin-2-ylmethyl)heptanediamide;molecular hydrogen

C19H28N4O2 — CID 143988612

IUPACN,N'-bis(pyridin-2-ylmethyl)heptanediamide;molecular hydrogen
SMILESO=C(CCCCCC(=O)NCc1ccccn1)NCc1ccccn1.[H][H].[H][H]
InChIInChI=1S/C19H24N4O2.2H2/c24-18(22-14-16-8-4-6-12-20-16)10-2-1-3-11-19(25)23-15-17-9-5-7-13-21-17;;/h4-9,12-13H,1-3,10-11,14-15H2,(H,22,24)(H,23,25);2*1H
InChIKeyMQJVNRLENSAUAD-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.85
Rot. Bonds10

About N,N'-bis(pyridin-2-ylmethyl)heptanediamide;molecular hydrogen

N,N'-bis(pyridin-2-ylmethyl)heptanediamide;molecular hydrogen (PubChem CID 143988612) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N,N'-bis(pyridin-2-ylmethyl)heptanediamide;molecular hydrogen.

Molecular Properties

Compound NameN,N'-bis(pyridin-2-ylmethyl)heptanediamide;molecular hydrogen
PubChem CID143988612
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN,N'-bis(pyridin-2-ylmethyl)heptanediamide;molecular hydrogen
SMILESO=C(CCCCCC(=O)NCc1ccccn1)NCc1ccccn1.[H][H].[H][H]
InChIInChI=1S/C19H24N4O2.2H2/c24-18(22-14-16-8-4-6-12-20-16)10-2-1-3-11-19(25)23-15-17-9-5-7-13-21-17;;/h4-9,12-13H,1-3,10-11,14-15H2,(H,22,24)(H,23,25);2*1H
InChIKeyMQJVNRLENSAUAD-UHFFFAOYSA-N
XLogP2.85
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-(pyridin-2-ylmethyl)heptanamide
CID 24706457
3-iodo-N-(pyridin-2-ylmethyl)propanamide
CID 163408162
N-prop-2-enyl-N'-(pyridin-2-ylmethyl)butanediamide
CID 51362589
4-hydroxy-N-(pyridin-2-ylmethyl)pentanamide
CID 79016708
7-(pyridin-2-ylmethylcarbamoylamino)heptanoic acid
CID 61190060
N',N'-diphenyl-N-(pyridin-2-ylmethyl)butanediamide
CID 4566604
5-(4-fluorophenyl)-5-oxo-N-(pyridin-2-ylmethyl)pentanamide
CID 110298088
4-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)butanamide
CID 127115863
6-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(pyridin-2-ylmethyl)hexanamide
CID 45493872
N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide
CID 17154422
3-[(2-aminoacetyl)amino]-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride
CID 75480750
3-oxo-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 102234841

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(pyridin-2-ylmethyl)heptanediamide;molecular hydrogen?
The IUPAC name of N,N'-bis(pyridin-2-ylmethyl)heptanediamide;molecular hydrogen (CID 143988612) is N,N'-bis(pyridin-2-ylmethyl)heptanediamide;molecular hydrogen.
What is the SMILES notation for N,N'-bis(pyridin-2-ylmethyl)heptanediamide;molecular hydrogen?
The canonical SMILES for N,N'-bis(pyridin-2-ylmethyl)heptanediamide;molecular hydrogen is O=C(CCCCCC(=O)NCc1ccccn1)NCc1ccccn1.[H][H].[H][H].
What is the InChIKey of N,N'-bis(pyridin-2-ylmethyl)heptanediamide;molecular hydrogen?
The InChIKey is MQJVNRLENSAUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2.2H2/c24-18(22-14-16-8-4-6-12-20-16)10-2-1-3-11-19(25)23-15-17-9-5-7-13-21-17;;/h4-9,12-13H,1-3,10-11,14-15H2,(H,22,24)(H,23,25);2*1H.
What are the key properties of N,N'-bis(pyridin-2-ylmethyl)heptanediamide;molecular hydrogen?
N,N'-bis(pyridin-2-ylmethyl)heptanediamide;molecular hydrogen has a molecular weight of 344.46 g/mol, XLogP of 2.85, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(pyridin-2-ylmethyl)heptanediamide;molecular hydrogen is sourced from PubChem (CID 143988612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).