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

C20H25ClN4O — CID 23725540

IUPAC[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(3-propylpiperidin-1-yl)methanone
SMILESCCCC1CCCN(C(=O)c2cnc(Nc3ccc(C)nc3)c(Cl)c2)C1
InChIInChI=1S/C20H25ClN4O/c1-3-5-15-6-4-9-25(13-15)20(26)16-10-18(21)19(23-11-16)24-17-8-7-14(2)22-12-17/h7-8,10-12,15H,3-6,9,13H2,1-2H3,(H,23,24)
InChIKeySZTSAJHGMRUJJW-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.83
Rot. Bonds5

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

[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(3-propylpiperidin-1-yl)methanone (PubChem CID 23725540) 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]-(3-propylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(3-propylpiperidin-1-yl)methanone
PubChem CID23725540
Molecular FormulaC20H25ClN4O
Molecular Weight372.90 g/mol
Exact Mass372.17
IUPAC Name[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(3-propylpiperidin-1-yl)methanone
SMILESCCCC1CCCN(C(=O)c2cnc(Nc3ccc(C)nc3)c(Cl)c2)C1
InChIInChI=1S/C20H25ClN4O/c1-3-5-15-6-4-9-25(13-15)20(26)16-10-18(21)19(23-11-16)24-17-8-7-14(2)22-12-17/h7-8,10-12,15H,3-6,9,13H2,1-2H3,(H,23,24)
InChIKeySZTSAJHGMRUJJW-UHFFFAOYSA-N
XLogP4.83
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 ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 132712
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CID 453331
CID 453331
CID 53374963
CID 53374963
CID 515044
CID 515044
CID 453308
CID 453308
CID 453312
CID 453312
CID 453313
CID 453313
CID 453326
CID 453326
CID 453335
CID 453335
CID 453341
CID 453341
CID 460390
CID 460390

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(3-propylpiperidin-1-yl)methanone?
The IUPAC name of [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(3-propylpiperidin-1-yl)methanone (CID 23725540) is [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(3-propylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(3-propylpiperidin-1-yl)methanone?
The canonical SMILES for [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(3-propylpiperidin-1-yl)methanone is CCCC1CCCN(C(=O)c2cnc(Nc3ccc(C)nc3)c(Cl)c2)C1.
What is the InChIKey of [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(3-propylpiperidin-1-yl)methanone?
The InChIKey is SZTSAJHGMRUJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O/c1-3-5-15-6-4-9-25(13-15)20(26)16-10-18(21)19(23-11-16)24-17-8-7-14(2)22-12-17/h7-8,10-12,15H,3-6,9,13H2,1-2H3,(H,23,24).
What are the key properties of [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(3-propylpiperidin-1-yl)methanone?
[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(3-propylpiperidin-1-yl)methanone has a molecular weight of 372.90 g/mol, XLogP of 4.83, 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]-(3-propylpiperidin-1-yl)methanone is sourced from PubChem (CID 23725540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).