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

C18H21ClN4O — CID 23725758

IUPAC[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(2R)-2-methylpiperidin-1-yl]methanone
SMILESCc1ccc(Nc2ncc(C(=O)N3CCCC[C@H]3C)cc2Cl)cn1
InChIInChI=1S/C18H21ClN4O/c1-12-6-7-15(11-20-12)22-17-16(19)9-14(10-21-17)18(24)23-8-4-3-5-13(23)2/h6-7,9-11,13H,3-5,8H2,1-2H3,(H,21,22)/t13-/m1/s1
InChIKeyQNYQRZYDZSRQND-CYBMUJFWSA-N
MW344.85 g/mol
LogP4.20
Rot. Bonds3

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

[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(2R)-2-methylpiperidin-1-yl]methanone (PubChem CID 23725758) 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]-[(2R)-2-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(2R)-2-methylpiperidin-1-yl]methanone
PubChem CID23725758
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC Name[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(2R)-2-methylpiperidin-1-yl]methanone
SMILESCc1ccc(Nc2ncc(C(=O)N3CCCC[C@H]3C)cc2Cl)cn1
InChIInChI=1S/C18H21ClN4O/c1-12-6-7-15(11-20-12)22-17-16(19)9-14(10-21-17)18(24)23-8-4-3-5-13(23)2/h6-7,9-11,13H,3-5,8H2,1-2H3,(H,21,22)/t13-/m1/s1
InChIKeyQNYQRZYDZSRQND-CYBMUJFWSA-N
XLogP4.20
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 ≤ 54.20
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]-[(2R)-2-methylpiperidin-1-yl]methanone?
The IUPAC name of [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(2R)-2-methylpiperidin-1-yl]methanone (CID 23725758) is [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(2R)-2-methylpiperidin-1-yl]methanone.
What is the SMILES notation for [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(2R)-2-methylpiperidin-1-yl]methanone?
The canonical SMILES for [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(2R)-2-methylpiperidin-1-yl]methanone is Cc1ccc(Nc2ncc(C(=O)N3CCCC[C@H]3C)cc2Cl)cn1.
What is the InChIKey of [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(2R)-2-methylpiperidin-1-yl]methanone?
The InChIKey is QNYQRZYDZSRQND-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21ClN4O/c1-12-6-7-15(11-20-12)22-17-16(19)9-14(10-21-17)18(24)23-8-4-3-5-13(23)2/h6-7,9-11,13H,3-5,8H2,1-2H3,(H,21,22)/t13-/m1/s1.
What are the key properties of [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(2R)-2-methylpiperidin-1-yl]methanone?
[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(2R)-2-methylpiperidin-1-yl]methanone has a molecular weight of 344.85 g/mol, XLogP of 4.20, 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]-[(2R)-2-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 23725758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).