[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone

C21H20ClN5O — CID 66869206

IUPAC[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
SMILESCc1ccc(Nc2ncc(C(=O)N3CCCC3c3ccccn3)cc2Cl)cn1
InChIInChI=1S/C21H20ClN5O/c1-14-7-8-16(13-24-14)26-20-17(22)11-15(12-25-20)21(28)27-10-4-6-19(27)18-5-2-3-9-23-18/h2-3,5,7-9,11-13,19H,4,6,10H2,1H3,(H,25,26)
InChIKeyODXXMVGQRWUDQD-UHFFFAOYSA-N
MW393.88 g/mol
LogP4.55
Rot. Bonds4

About [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone

[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone (PubChem CID 66869206) has the molecular formula C21H20ClN5O and a molecular weight of 393.88 g/mol. Its IUPAC name is [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
PubChem CID66869206
Molecular FormulaC21H20ClN5O
Molecular Weight393.88 g/mol
Exact Mass393.14
IUPAC Name[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
SMILESCc1ccc(Nc2ncc(C(=O)N3CCCC3c3ccccn3)cc2Cl)cn1
InChIInChI=1S/C21H20ClN5O/c1-14-7-8-16(13-24-14)26-20-17(22)11-15(12-25-20)21(28)27-10-4-6-19(27)18-5-2-3-9-23-18/h2-3,5,7-9,11-13,19H,4,6,10H2,1H3,(H,25,26)
InChIKeyODXXMVGQRWUDQD-UHFFFAOYSA-N
XLogP4.55
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.88
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone (CID 66869206) is [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone is Cc1ccc(Nc2ncc(C(=O)N3CCCC3c3ccccn3)cc2Cl)cn1.
What is the InChIKey of [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is ODXXMVGQRWUDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O/c1-14-7-8-16(13-24-14)26-20-17(22)11-15(12-25-20)21(28)27-10-4-6-19(27)18-5-2-3-9-23-18/h2-3,5,7-9,11-13,19H,4,6,10H2,1H3,(H,25,26).
What are the key properties of [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone?
[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 393.88 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 66869206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).