N-[3-[5-(2-aminocyclopropyl)-2-pyridinyl]phenyl]acetamide;hydrochloride

C16H18ClN3O — CID 66716052

IUPACN-[3-[5-(2-aminocyclopropyl)-2-pyridinyl]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1cccc(-c2ccc(C3CC3N)cn2)c1.Cl
InChIInChI=1S/C16H17N3O.ClH/c1-10(20)19-13-4-2-3-11(7-13)16-6-5-12(9-18-16)14-8-15(14)17;/h2-7,9,14-15H,8,17H2,1H3,(H,19,20);1H
InChIKeyZMTUCERUGGBLHO-UHFFFAOYSA-N
MW303.79 g/mol
LogP2.94
Rot. Bonds3

About N-[3-[5-(2-aminocyclopropyl)-2-pyridinyl]phenyl]acetamide;hydrochloride

N-[3-[5-(2-aminocyclopropyl)-2-pyridinyl]phenyl]acetamide;hydrochloride (PubChem CID 66716052) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is N-[3-[5-(2-aminocyclopropyl)-2-pyridinyl]phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[5-(2-aminocyclopropyl)-2-pyridinyl]phenyl]acetamide;hydrochloride
PubChem CID66716052
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC NameN-[3-[5-(2-aminocyclopropyl)-2-pyridinyl]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1cccc(-c2ccc(C3CC3N)cn2)c1.Cl
InChIInChI=1S/C16H17N3O.ClH/c1-10(20)19-13-4-2-3-11(7-13)16-6-5-12(9-18-16)14-8-15(14)17;/h2-7,9,14-15H,8,17H2,1H3,(H,19,20);1H
InChIKeyZMTUCERUGGBLHO-UHFFFAOYSA-N
XLogP2.94
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2S)-2-[6-(3-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine
CID 66714216
6-(3-acetamidophenyl)pyridine-3-carboxylic acid
CID 53223644
4-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]benzamide
CID 66714526
N-[3-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]phenyl]-4-cyanobenzenesulfonamide
CID 56650264
N-[3-[4-(2-aminocyclopentyl)phenyl]phenyl]acetamide
CID 69112748
N-[3-(3-aminophenyl)phenyl]acetamide
CID 22724502
5-(2-aminocyclopropyl)-N-(3-methylphenyl)pyridin-2-amine;hydrochloride
CID 66980467
N-[3-(4-methyl-2-pyridinyl)phenyl]acetamide
CID 143373898
trans-(1S,2R)-2-[6-(1-benzothiophen-5-yl)-3-pyridinyl]cyclopropan-1-amine;hydrochloride
CID 162324517
trans-(1S,2R)-2-[6-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine;hydrochloride
CID 162328920
2-[4-(3-acetamidophenyl)phenyl]cyclopentane-1-carboxamide
CID 18006334
N-(3-aminophenyl)acetamide;hydrate;hydrochloride
CID 91872080

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(2-aminocyclopropyl)-2-pyridinyl]phenyl]acetamide;hydrochloride?
The IUPAC name of N-[3-[5-(2-aminocyclopropyl)-2-pyridinyl]phenyl]acetamide;hydrochloride (CID 66716052) is N-[3-[5-(2-aminocyclopropyl)-2-pyridinyl]phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[3-[5-(2-aminocyclopropyl)-2-pyridinyl]phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[3-[5-(2-aminocyclopropyl)-2-pyridinyl]phenyl]acetamide;hydrochloride is CC(=O)Nc1cccc(-c2ccc(C3CC3N)cn2)c1.Cl.
What is the InChIKey of N-[3-[5-(2-aminocyclopropyl)-2-pyridinyl]phenyl]acetamide;hydrochloride?
The InChIKey is ZMTUCERUGGBLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O.ClH/c1-10(20)19-13-4-2-3-11(7-13)16-6-5-12(9-18-16)14-8-15(14)17;/h2-7,9,14-15H,8,17H2,1H3,(H,19,20);1H.
What are the key properties of N-[3-[5-(2-aminocyclopropyl)-2-pyridinyl]phenyl]acetamide;hydrochloride?
N-[3-[5-(2-aminocyclopropyl)-2-pyridinyl]phenyl]acetamide;hydrochloride has a molecular weight of 303.79 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(2-aminocyclopropyl)-2-pyridinyl]phenyl]acetamide;hydrochloride is sourced from PubChem (CID 66716052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).