[5-chloro-6-[(2-methylpyrimidin-5-yl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone

C17H20ClN5O — CID 23725491

IUPAC[5-chloro-6-[(2-methylpyrimidin-5-yl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
SMILESCc1ncc(Nc2ncc(C(=O)N3CCCC(C)C3)cc2Cl)cn1
InChIInChI=1S/C17H20ClN5O/c1-11-4-3-5-23(10-11)17(24)13-6-15(18)16(21-7-13)22-14-8-19-12(2)20-9-14/h6-9,11H,3-5,10H2,1-2H3,(H,21,22)
InChIKeyASQCZKIOAOKASX-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.45
Rot. Bonds3

About [5-chloro-6-[(2-methylpyrimidin-5-yl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone

[5-chloro-6-[(2-methylpyrimidin-5-yl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 23725491) has the molecular formula C17H20ClN5O and a molecular weight of 345.83 g/mol. Its IUPAC name is [5-chloro-6-[(2-methylpyrimidin-5-yl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-chloro-6-[(2-methylpyrimidin-5-yl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
PubChem CID23725491
Molecular FormulaC17H20ClN5O
Molecular Weight345.83 g/mol
Exact Mass345.14
IUPAC Name[5-chloro-6-[(2-methylpyrimidin-5-yl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
SMILESCc1ncc(Nc2ncc(C(=O)N3CCCC(C)C3)cc2Cl)cn1
InChIInChI=1S/C17H20ClN5O/c1-11-4-3-5-23(10-11)17(24)13-6-15(18)16(21-7-13)22-14-8-19-12(2)20-9-14/h6-9,11H,3-5,10H2,1-2H3,(H,21,22)
InChIKeyASQCZKIOAOKASX-UHFFFAOYSA-N
XLogP3.45
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-chloro-6-[(2-methylpyrimidin-5-yl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone with MolForge

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Related Compounds

[5-chloro-6-(ethylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 62172223
(5-chloro-6-hydrazinyl-3-pyridinyl)-(4-methylazepan-1-yl)methanone
CID 55247680
[5-chloro-6-(4-chloroanilino)-3-pyridinyl]-(3-ethylpiperidin-1-yl)methanone
CID 23725539
[5-chloro-6-(4-methylanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 56584592
[2-(4-chloroanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 46226043
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(5-chloro-6-hydrazinyl-3-pyridinyl)methanone
CID 62236710
(3-chloro-4-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone
CID 18105294
[5-chloro-6-(cyclopentylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270710
[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(3Z)-3-ethylidenepiperidin-1-yl]methanone
CID 66869605
[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]-(2-propan-2-ylpiperidin-1-yl)methanone
CID 23725759

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[(2-methylpyrimidin-5-yl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-chloro-6-[(2-methylpyrimidin-5-yl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone (CID 23725491) is [5-chloro-6-[(2-methylpyrimidin-5-yl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-chloro-6-[(2-methylpyrimidin-5-yl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-chloro-6-[(2-methylpyrimidin-5-yl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone is Cc1ncc(Nc2ncc(C(=O)N3CCCC(C)C3)cc2Cl)cn1.
What is the InChIKey of [5-chloro-6-[(2-methylpyrimidin-5-yl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is ASQCZKIOAOKASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O/c1-11-4-3-5-23(10-11)17(24)13-6-15(18)16(21-7-13)22-14-8-19-12(2)20-9-14/h6-9,11H,3-5,10H2,1-2H3,(H,21,22).
What are the key properties of [5-chloro-6-[(2-methylpyrimidin-5-yl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
[5-chloro-6-[(2-methylpyrimidin-5-yl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 345.83 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[(2-methylpyrimidin-5-yl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 23725491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).