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

C18H21ClN4O — CID 23725442

IUPAC[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
SMILESCc1ccc(Nc2ncc(C(=O)N3CCCC(C)C3)cc2Cl)cn1
InChIInChI=1S/C18H21ClN4O/c1-12-4-3-7-23(11-12)18(24)14-8-16(19)17(21-9-14)22-15-6-5-13(2)20-10-15/h5-6,8-10,12H,3-4,7,11H2,1-2H3,(H,21,22)
InChIKeyWGPFQCFVRYXRSD-UHFFFAOYSA-N
MW344.85 g/mol
LogP4.05
Rot. Bonds3

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

[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 23725442) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
PubChem CID23725442
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC Name[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
SMILESCc1ccc(Nc2ncc(C(=O)N3CCCC(C)C3)cc2Cl)cn1
InChIInChI=1S/C18H21ClN4O/c1-12-4-3-7-23(11-12)18(24)14-8-16(19)17(21-9-14)22-15-6-5-13(2)20-10-15/h5-6,8-10,12H,3-4,7,11H2,1-2H3,(H,21,22)
InChIKeyWGPFQCFVRYXRSD-UHFFFAOYSA-N
XLogP4.05
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone (CID 23725442) is [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone is Cc1ccc(Nc2ncc(C(=O)N3CCCC(C)C3)cc2Cl)cn1.
What is the InChIKey of [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is WGPFQCFVRYXRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c1-12-4-3-7-23(11-12)18(24)14-8-16(19)17(21-9-14)22-15-6-5-13(2)20-10-15/h5-6,8-10,12H,3-4,7,11H2,1-2H3,(H,21,22).
What are the key properties of [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 344.85 g/mol, XLogP of 4.05, 3 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-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 23725442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).