(3-chloro-6-ethoxy-2-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone

C17H24ClN3O2 — CID 56783446

IUPAC(3-chloro-6-ethoxy-2-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESCCOc1ccc(Cl)c(C(=O)N2CCCC(N3CCCC3)C2)n1
InChIInChI=1S/C17H24ClN3O2/c1-2-23-15-8-7-14(18)16(19-15)17(22)21-11-5-6-13(12-21)20-9-3-4-10-20/h7-8,13H,2-6,9-12H2,1H3
InChIKeyCBWGKPTUVVYMQP-UHFFFAOYSA-N
MW337.85 g/mol
LogP2.83
Rot. Bonds4

About (3-chloro-6-ethoxy-2-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone

(3-chloro-6-ethoxy-2-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone (PubChem CID 56783446) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is (3-chloro-6-ethoxy-2-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-chloro-6-ethoxy-2-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
PubChem CID56783446
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name(3-chloro-6-ethoxy-2-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESCCOc1ccc(Cl)c(C(=O)N2CCCC(N3CCCC3)C2)n1
InChIInChI=1S/C17H24ClN3O2/c1-2-23-15-8-7-14(18)16(19-15)17(22)21-11-5-6-13(12-21)20-9-3-4-10-20/h7-8,13H,2-6,9-12H2,1H3
InChIKeyCBWGKPTUVVYMQP-UHFFFAOYSA-N
XLogP2.83
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pyridine amide, 12
CID 44236998
(6-(3,4-Dichlorophenoxy)pyridin-2-yl)(4-isopropyl-1,4-diazepan-1-yl)methanone
CID 24771576
6-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-N-methylpyridine-2-carboxamide
CID 145975214
5-Chloro-6-cyclopropylmethoxy-pyridine-2-carboxylic acid (1-ethyl-1-methylcarbamoyl-propyl)-amide
CID 71093612
3-chloro-6-ethoxy-N-methylpyridine-2-carboxamide
CID 47377989
Ethyl 3-[(3-chloro-6-ethoxypyridine-2-carbonyl)amino]propanoate
CID 47437528
2-[4-(3-Chloro-6-ethoxypyridine-2-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 48171767
3-chloro-6-ethoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide
CID 51092016
3-chloro-6-ethoxy-N-(2-sulfamoylethyl)pyridine-2-carboxamide
CID 51092036
Methyl 4-(3-chloro-6-ethoxypyridine-2-carbonyl)piperazine-1-carboxylate
CID 51092046
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-chloro-6-ethoxypyridine-2-carboxamide
CID 51101417
[4-(3-Chloro-6-ethoxypyridine-2-carbonyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone
CID 51125045

Frequently Asked Questions

What is the IUPAC name of (3-chloro-6-ethoxy-2-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of (3-chloro-6-ethoxy-2-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone (CID 56783446) is (3-chloro-6-ethoxy-2-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-chloro-6-ethoxy-2-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for (3-chloro-6-ethoxy-2-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone is CCOc1ccc(Cl)c(C(=O)N2CCCC(N3CCCC3)C2)n1.
What is the InChIKey of (3-chloro-6-ethoxy-2-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is CBWGKPTUVVYMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-2-23-15-8-7-14(18)16(19-15)17(22)21-11-5-6-13(12-21)20-9-3-4-10-20/h7-8,13H,2-6,9-12H2,1H3.
What are the key properties of (3-chloro-6-ethoxy-2-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone?
(3-chloro-6-ethoxy-2-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 337.85 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-6-ethoxy-2-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 56783446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).