(2-amino-5-chloro-4-pyridinyl)-(3-phenylpyrrolidin-1-yl)methanone

C16H16ClN3O — CID 114922444

IUPAC(2-amino-5-chloro-4-pyridinyl)-(3-phenylpyrrolidin-1-yl)methanone
SMILESNc1cc(C(=O)N2CCC(c3ccccc3)C2)c(Cl)cn1
InChIInChI=1S/C16H16ClN3O/c17-14-9-19-15(18)8-13(14)16(21)20-7-6-12(10-20)11-4-2-1-3-5-11/h1-5,8-9,12H,6-7,10H2,(H2,18,19)
InChIKeyIASCYDKZXOKVJZ-UHFFFAOYSA-N
MW301.78 g/mol
LogP2.95
Rot. Bonds2

About (2-amino-5-chloro-4-pyridinyl)-(3-phenylpyrrolidin-1-yl)methanone

(2-amino-5-chloro-4-pyridinyl)-(3-phenylpyrrolidin-1-yl)methanone (PubChem CID 114922444) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is (2-amino-5-chloro-4-pyridinyl)-(3-phenylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-chloro-4-pyridinyl)-(3-phenylpyrrolidin-1-yl)methanone
PubChem CID114922444
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name(2-amino-5-chloro-4-pyridinyl)-(3-phenylpyrrolidin-1-yl)methanone
SMILESNc1cc(C(=O)N2CCC(c3ccccc3)C2)c(Cl)cn1
InChIInChI=1S/C16H16ClN3O/c17-14-9-19-15(18)8-13(14)16(21)20-7-6-12(10-20)11-4-2-1-3-5-11/h1-5,8-9,12H,6-7,10H2,(H2,18,19)
InChIKeyIASCYDKZXOKVJZ-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(2-amino-5-chloro-4-pyridinyl)methanone
CID 114922388
(2-amino-5-chloro-4-pyridinyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 114923992
(2-amino-5-chloro-4-pyridinyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 114923810
(2-amino-5-chloro-4-pyridinyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102966244
(2-amino-5-chloro-4-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107228718
(2-amino-5-chloro-4-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 114923213
6-(2-amino-5-chloropyridine-4-carbonyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
CID 114924225
(2-amino-5-chloro-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
CID 114924651
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
(2-hydrazinyl-3-pyridinyl)-(3-phenylpyrrolidin-1-yl)methanone
CID 62236169
(2-amino-5-chloro-4-pyridinyl)-(2,6-dimethylthiomorpholin-4-yl)methanone
CID 114923710
(2-amino-5-chloro-4-pyridinyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 114923574

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-chloro-4-pyridinyl)-(3-phenylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-amino-5-chloro-4-pyridinyl)-(3-phenylpyrrolidin-1-yl)methanone (CID 114922444) is (2-amino-5-chloro-4-pyridinyl)-(3-phenylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-amino-5-chloro-4-pyridinyl)-(3-phenylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-amino-5-chloro-4-pyridinyl)-(3-phenylpyrrolidin-1-yl)methanone is Nc1cc(C(=O)N2CCC(c3ccccc3)C2)c(Cl)cn1.
What is the InChIKey of (2-amino-5-chloro-4-pyridinyl)-(3-phenylpyrrolidin-1-yl)methanone?
The InChIKey is IASCYDKZXOKVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c17-14-9-19-15(18)8-13(14)16(21)20-7-6-12(10-20)11-4-2-1-3-5-11/h1-5,8-9,12H,6-7,10H2,(H2,18,19).
What are the key properties of (2-amino-5-chloro-4-pyridinyl)-(3-phenylpyrrolidin-1-yl)methanone?
(2-amino-5-chloro-4-pyridinyl)-(3-phenylpyrrolidin-1-yl)methanone has a molecular weight of 301.78 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-chloro-4-pyridinyl)-(3-phenylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 114922444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).