(2-amino-6-chlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone

C16H16ClN3O — CID 63658212

IUPAC(2-amino-6-chlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESNc1cccc(Cl)c1C(=O)N1CCCC1c1cccnc1
InChIInChI=1S/C16H16ClN3O/c17-12-5-1-6-13(18)15(12)16(21)20-9-3-7-14(20)11-4-2-8-19-10-11/h1-2,4-6,8,10,14H,3,7,9,18H2
InChIKeyURYAIWNHVUHNEX-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.29
Rot. Bonds2

About (2-amino-6-chlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone

(2-amino-6-chlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone (PubChem CID 63658212) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is (2-amino-6-chlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-6-chlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
PubChem CID63658212
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name(2-amino-6-chlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESNc1cccc(Cl)c1C(=O)N1CCCC1c1cccnc1
InChIInChI=1S/C16H16ClN3O/c17-12-5-1-6-13(18)15(12)16(21)20-9-3-7-14(20)11-4-2-8-19-10-11/h1-2,4-6,8,10,14H,3,7,9,18H2
InChIKeyURYAIWNHVUHNEX-UHFFFAOYSA-N
XLogP3.29
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3,4-dichlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110867001
(3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 97207892
[4-(aminomethyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 43575796
(4-chloro-1-benzothiophen-2-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 162901549
(4-chloro-1-benzothiophen-2-yl)-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone
CID 127252874
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
[5-(2-chlorophenyl)furan-2-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 70780277
(2-amino-6-methylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 43575482
2-chloro-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone
CID 14619396
(2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110871555
[4-(chloromethyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 43578920
(3-iodophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 60697684

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-chlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-amino-6-chlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone (CID 63658212) is (2-amino-6-chlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-amino-6-chlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-amino-6-chlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone is Nc1cccc(Cl)c1C(=O)N1CCCC1c1cccnc1.
What is the InChIKey of (2-amino-6-chlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
The InChIKey is URYAIWNHVUHNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c17-12-5-1-6-13(18)15(12)16(21)20-9-3-7-14(20)11-4-2-8-19-10-11/h1-2,4-6,8,10,14H,3,7,9,18H2.
What are the key properties of (2-amino-6-chlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone?
(2-amino-6-chlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone has a molecular weight of 301.78 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-chlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 63658212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).