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

C22H22ClN5O — CID 23725866

IUPAC[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
SMILESCc1ccc(Nc2ncc(C(=O)N3CCCCC3c3cccnc3)cc2Cl)cn1
InChIInChI=1S/C22H22ClN5O/c1-15-7-8-18(14-25-15)27-21-19(23)11-17(13-26-21)22(29)28-10-3-2-6-20(28)16-5-4-9-24-12-16/h4-5,7-9,11-14,20H,2-3,6,10H2,1H3,(H,26,27)
InChIKeyYMSAFYDICTZLSZ-UHFFFAOYSA-N
MW407.91 g/mol
LogP4.94
Rot. Bonds4

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

[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone (PubChem CID 23725866) has the molecular formula C22H22ClN5O and a molecular weight of 407.91 g/mol. Its IUPAC name is [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
PubChem CID23725866
Molecular FormulaC22H22ClN5O
Molecular Weight407.91 g/mol
Exact Mass407.15
IUPAC Name[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
SMILESCc1ccc(Nc2ncc(C(=O)N3CCCCC3c3cccnc3)cc2Cl)cn1
InChIInChI=1S/C22H22ClN5O/c1-15-7-8-18(14-25-15)27-21-19(23)11-17(13-26-21)22(29)28-10-3-2-6-20(28)16-5-4-9-24-12-16/h4-5,7-9,11-14,20H,2-3,6,10H2,1H3,(H,26,27)
InChIKeyYMSAFYDICTZLSZ-UHFFFAOYSA-N
XLogP4.94
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.91
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 66869206
[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-propan-2-ylpiperidin-1-yl)methanone
CID 23725759
[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 23725699
[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(2R)-2-propan-2-ylpiperidin-1-yl]methanone
CID 23725760
[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(2S)-2-propan-2-ylpiperidin-1-yl]methanone
CID 23725808
[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(2S)-2-propylpiperidin-1-yl]methanone
CID 23725813
(3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 97207892
(3,4-dichlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110867001
2-azabicyclo[2.2.1]heptan-2-yl-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]methanone
CID 23725488
[(2S)-2-pyridin-3-ylpiperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 97193301
(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 130423668
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone
CID 7640907

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The IUPAC name of [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone (CID 23725866) is [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The canonical SMILES for [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone is Cc1ccc(Nc2ncc(C(=O)N3CCCCC3c3cccnc3)cc2Cl)cn1.
What is the InChIKey of [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The InChIKey is YMSAFYDICTZLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O/c1-15-7-8-18(14-25-15)27-21-19(23)11-17(13-26-21)22(29)28-10-3-2-6-20(28)16-5-4-9-24-12-16/h4-5,7-9,11-14,20H,2-3,6,10H2,1H3,(H,26,27).
What are the key properties of [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone has a molecular weight of 407.91 g/mol, XLogP of 4.94, 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-3-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 23725866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).