N-pyridin-3-ylbenzamide;dihydrochloride

C12H12Cl2N2O — CID 174671785

IUPACN-pyridin-3-ylbenzamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1cccnc1)c1ccccc1
InChIInChI=1S/C12H10N2O.2ClH/c15-12(10-5-2-1-3-6-10)14-11-7-4-8-13-9-11;;/h1-9H,(H,14,15);2*1H
InChIKeyKDDQKRRTUYMUBG-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.18
Rot. Bonds2

About N-pyridin-3-ylbenzamide;dihydrochloride

N-pyridin-3-ylbenzamide;dihydrochloride (PubChem CID 174671785) has the molecular formula C12H12Cl2N2O and a molecular weight of 271.15 g/mol. Its IUPAC name is N-pyridin-3-ylbenzamide;dihydrochloride.

Molecular Properties

Compound NameN-pyridin-3-ylbenzamide;dihydrochloride
PubChem CID174671785
Molecular FormulaC12H12Cl2N2O
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC NameN-pyridin-3-ylbenzamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1cccnc1)c1ccccc1
InChIInChI=1S/C12H10N2O.2ClH/c15-12(10-5-2-1-3-6-10)14-11-7-4-8-13-9-11;;/h1-9H,(H,14,15);2*1H
InChIKeyKDDQKRRTUYMUBG-UHFFFAOYSA-N
XLogP3.18
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzamido-N-pyridin-3-ylbenzamide
CID 730923
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
4-hydroxy-N-pyridin-3-ylbenzamide
CID 15965764
3-phenyl-N-pyridin-3-ylbenzamide
CID 110723041
4-tert-butyl-N-pyridin-3-ylbenzamide
CID 676176
4-[(4-chlorobenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 38754764
4-(carbamoylamino)-N-pyridin-3-ylbenzamide
CID 13387851
N-pyrimidin-5-ylbenzamide
CID 68971843
4-(aminomethyl)-N-pyridin-3-ylbenzamide
CID 16774572
3,5-dichloro-N-pyridin-3-ylbenzamide
CID 1245821
ethane;3-methyl-N-pyridin-3-ylbenzamide
CID 145409327
3-formamido-N-pyridin-3-ylbenzamide
CID 168654563

Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-ylbenzamide;dihydrochloride?
The IUPAC name of N-pyridin-3-ylbenzamide;dihydrochloride (CID 174671785) is N-pyridin-3-ylbenzamide;dihydrochloride.
What is the SMILES notation for N-pyridin-3-ylbenzamide;dihydrochloride?
The canonical SMILES for N-pyridin-3-ylbenzamide;dihydrochloride is Cl.Cl.O=C(Nc1cccnc1)c1ccccc1.
What is the InChIKey of N-pyridin-3-ylbenzamide;dihydrochloride?
The InChIKey is KDDQKRRTUYMUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O.2ClH/c15-12(10-5-2-1-3-6-10)14-11-7-4-8-13-9-11;;/h1-9H,(H,14,15);2*1H.
What are the key properties of N-pyridin-3-ylbenzamide;dihydrochloride?
N-pyridin-3-ylbenzamide;dihydrochloride has a molecular weight of 271.15 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-ylbenzamide;dihydrochloride is sourced from PubChem (CID 174671785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).