N-[4-(2-amino-2-ethylcyclopropyl)phenyl]-4-pyridin-4-ylbenzamide;dihydrochloride

C23H25Cl2N3O — CID 118483954

IUPACN-[4-(2-amino-2-ethylcyclopropyl)phenyl]-4-pyridin-4-ylbenzamide;dihydrochloride
SMILESCCC1(N)CC1c1ccc(NC(=O)c2ccc(-c3ccncc3)cc2)cc1.Cl.Cl
InChIInChI=1S/C23H23N3O.2ClH/c1-2-23(24)15-21(23)18-7-9-20(10-8-18)26-22(27)19-5-3-16(4-6-19)17-11-13-25-14-12-17;;/h3-14,21H,2,15,24H2,1H3,(H,26,27);2*1H
InChIKeyPWTHFKRDBYPEPU-UHFFFAOYSA-N
MW430.38 g/mol
LogP5.44
Rot. Bonds5

About N-[4-(2-amino-2-ethylcyclopropyl)phenyl]-4-pyridin-4-ylbenzamide;dihydrochloride

N-[4-(2-amino-2-ethylcyclopropyl)phenyl]-4-pyridin-4-ylbenzamide;dihydrochloride (PubChem CID 118483954) has the molecular formula C23H25Cl2N3O and a molecular weight of 430.38 g/mol. Its IUPAC name is N-[4-(2-amino-2-ethylcyclopropyl)phenyl]-4-pyridin-4-ylbenzamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-(2-amino-2-ethylcyclopropyl)phenyl]-4-pyridin-4-ylbenzamide;dihydrochloride
PubChem CID118483954
Molecular FormulaC23H25Cl2N3O
Molecular Weight430.38 g/mol
Exact Mass429.14
IUPAC NameN-[4-(2-amino-2-ethylcyclopropyl)phenyl]-4-pyridin-4-ylbenzamide;dihydrochloride
SMILESCCC1(N)CC1c1ccc(NC(=O)c2ccc(-c3ccncc3)cc2)cc1.Cl.Cl
InChIInChI=1S/C23H23N3O.2ClH/c1-2-23(24)15-21(23)18-7-9-20(10-8-18)26-22(27)19-5-3-16(4-6-19)17-11-13-25-14-12-17;;/h3-14,21H,2,15,24H2,1H3,(H,26,27);2*1H
InChIKeyPWTHFKRDBYPEPU-UHFFFAOYSA-N
XLogP5.44
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.38
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]pyridine-4-carboxamide
CID 118483857
N-[4-[(1S,2R)-2-amino-2-ethylcyclopropyl]phenyl]-4-phenylbenzamide
CID 74763834
N-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]-4-(furan-3-yl)benzamide;hydrochloride
CID 118483850
N-[3-[(1S,2R)-2-amino-2-ethylcyclopropyl]phenyl]-4-phenylbenzamide
CID 90212569
1-N,4-N-bis(4-pyridin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 171423296
N-[4-(2-amino-2-ethylcyclopropyl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide;hydrochloride
CID 118483829
N-[3-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]benzamide
CID 90205042
N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-pyridin-4-ylbenzamide
CID 71762286
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-pyridin-4-ylbenzamide
CID 90214031
4-phenyl-N-pyridin-4-ylbenzamide;hydrochloride
CID 163329221
N-(4-methylphenyl)pyridine-4-carboxamide;propane
CID 142028273
[3-[[3-(2-amino-2-ethylcyclopropyl)phenyl]carbamoyl]phenyl]carbamic acid
CID 155044907

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-ethylcyclopropyl)phenyl]-4-pyridin-4-ylbenzamide;dihydrochloride?
The IUPAC name of N-[4-(2-amino-2-ethylcyclopropyl)phenyl]-4-pyridin-4-ylbenzamide;dihydrochloride (CID 118483954) is N-[4-(2-amino-2-ethylcyclopropyl)phenyl]-4-pyridin-4-ylbenzamide;dihydrochloride.
What is the SMILES notation for N-[4-(2-amino-2-ethylcyclopropyl)phenyl]-4-pyridin-4-ylbenzamide;dihydrochloride?
The canonical SMILES for N-[4-(2-amino-2-ethylcyclopropyl)phenyl]-4-pyridin-4-ylbenzamide;dihydrochloride is CCC1(N)CC1c1ccc(NC(=O)c2ccc(-c3ccncc3)cc2)cc1.Cl.Cl.
What is the InChIKey of N-[4-(2-amino-2-ethylcyclopropyl)phenyl]-4-pyridin-4-ylbenzamide;dihydrochloride?
The InChIKey is PWTHFKRDBYPEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O.2ClH/c1-2-23(24)15-21(23)18-7-9-20(10-8-18)26-22(27)19-5-3-16(4-6-19)17-11-13-25-14-12-17;;/h3-14,21H,2,15,24H2,1H3,(H,26,27);2*1H.
What are the key properties of N-[4-(2-amino-2-ethylcyclopropyl)phenyl]-4-pyridin-4-ylbenzamide;dihydrochloride?
N-[4-(2-amino-2-ethylcyclopropyl)phenyl]-4-pyridin-4-ylbenzamide;dihydrochloride has a molecular weight of 430.38 g/mol, XLogP of 5.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-ethylcyclopropyl)phenyl]-4-pyridin-4-ylbenzamide;dihydrochloride is sourced from PubChem (CID 118483954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).