[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

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

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Related Compounds

(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
CID 50922681
Bibn 99
CID 132712
Unii-O3pen5V8WL
CID 453331
N-(5-chloropyridin-2-yl)-5-methyl-2-[4-(N-methylethanimidamido)benzamido]benzamide
CID 53374963
8-Heteroarylthiomethyldipyridodiazepinone deriv. 10
CID 515044
N11-Ethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453308
N5-Methyl-N11-propyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453312
N11-Isopropyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453313
2-Chloro-N11-ethyl-N5-methyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453326
4,N11-Diethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453335
N11-Ethyl-2,3,N5-trimethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453341
8-Substituted Dipyridodiazepinone 5
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).