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

C20H25ClN4O — CID 23725813

IUPAC[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(2S)-2-propylpiperidin-1-yl]methanone
SMILESCCC[C@H]1CCCCN1C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
InChIInChI=1S/C20H25ClN4O/c1-3-6-17-7-4-5-10-25(17)20(26)15-11-18(21)19(23-12-15)24-16-9-8-14(2)22-13-16/h8-9,11-13,17H,3-7,10H2,1-2H3,(H,23,24)/t17-/m0/s1
InChIKeyJFVQMYLXIIQSQB-KRWDZBQOSA-N
MW372.90 g/mol
LogP4.98
Rot. Bonds5

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

[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(2S)-2-propylpiperidin-1-yl]methanone (PubChem CID 23725813) has the molecular formula C20H25ClN4O and a molecular weight of 372.90 g/mol. Its IUPAC name is [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(2S)-2-propylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(2S)-2-propylpiperidin-1-yl]methanone
PubChem CID23725813
Molecular FormulaC20H25ClN4O
Molecular Weight372.90 g/mol
Exact Mass372.17
IUPAC Name[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(2S)-2-propylpiperidin-1-yl]methanone
SMILESCCC[C@H]1CCCCN1C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
InChIInChI=1S/C20H25ClN4O/c1-3-6-17-7-4-5-10-25(17)20(26)15-11-18(21)19(23-12-15)24-16-9-8-14(2)22-13-16/h8-9,11-13,17H,3-7,10H2,1-2H3,(H,23,24)/t17-/m0/s1
InChIKeyJFVQMYLXIIQSQB-KRWDZBQOSA-N
XLogP4.98
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

[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]-(2-methyl-6-propylpiperidin-1-yl)methanone
CID 23725919
[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-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-pyridin-3-ylpiperidin-1-yl)methanone
CID 23725866
[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 66869206
2-azabicyclo[2.2.1]heptan-2-yl-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]methanone
CID 23725488
[5-[chloro-(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-propylazepan-1-yl)methanone
CID 87680650
[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(3Z)-3-ethylidenepiperidin-1-yl]methanone
CID 66869605
(3-chloro-4-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83055938
[5-chloro-6-(propylamino)-3-pyridinyl]-(2-ethylpyrrolidin-1-yl)methanone
CID 62187046

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(2S)-2-propylpiperidin-1-yl]methanone?
The IUPAC name of [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(2S)-2-propylpiperidin-1-yl]methanone (CID 23725813) is [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(2S)-2-propylpiperidin-1-yl]methanone.
What is the SMILES notation for [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(2S)-2-propylpiperidin-1-yl]methanone?
The canonical SMILES for [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(2S)-2-propylpiperidin-1-yl]methanone is CCC[C@H]1CCCCN1C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1.
What is the InChIKey of [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(2S)-2-propylpiperidin-1-yl]methanone?
The InChIKey is JFVQMYLXIIQSQB-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H25ClN4O/c1-3-6-17-7-4-5-10-25(17)20(26)15-11-18(21)19(23-12-15)24-16-9-8-14(2)22-13-16/h8-9,11-13,17H,3-7,10H2,1-2H3,(H,23,24)/t17-/m0/s1.
What are the key properties of [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(2S)-2-propylpiperidin-1-yl]methanone?
[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(2S)-2-propylpiperidin-1-yl]methanone has a molecular weight of 372.90 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(2S)-2-propylpiperidin-1-yl]methanone is sourced from PubChem (CID 23725813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).