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

C19H23ClN4O — CID 23725809

IUPAC[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(3R)-3-ethylpiperidin-1-yl]methanone
SMILESCC[C@@H]1CCCN(C(=O)c2cnc(Nc3ccc(C)nc3)c(Cl)c2)C1
InChIInChI=1S/C19H23ClN4O/c1-3-14-5-4-8-24(12-14)19(25)15-9-17(20)18(22-10-15)23-16-7-6-13(2)21-11-16/h6-7,9-11,14H,3-5,8,12H2,1-2H3,(H,22,23)/t14-/m1/s1
InChIKeyLGCIZDYPKPLDMP-CQSZACIVSA-N
MW358.87 g/mol
LogP4.44
Rot. Bonds4

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

[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(3R)-3-ethylpiperidin-1-yl]methanone (PubChem CID 23725809) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(3R)-3-ethylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(3R)-3-ethylpiperidin-1-yl]methanone
PubChem CID23725809
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(3R)-3-ethylpiperidin-1-yl]methanone
SMILESCC[C@@H]1CCCN(C(=O)c2cnc(Nc3ccc(C)nc3)c(Cl)c2)C1
InChIInChI=1S/C19H23ClN4O/c1-3-14-5-4-8-24(12-14)19(25)15-9-17(20)18(22-10-15)23-16-7-6-13(2)21-11-16/h6-7,9-11,14H,3-5,8,12H2,1-2H3,(H,22,23)/t14-/m1/s1
InChIKeyLGCIZDYPKPLDMP-CQSZACIVSA-N
XLogP4.44
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.44
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]-[(3R)-3-ethylpiperidin-1-yl]methanone?
The IUPAC name of [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(3R)-3-ethylpiperidin-1-yl]methanone (CID 23725809) is [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(3R)-3-ethylpiperidin-1-yl]methanone.
What is the SMILES notation for [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(3R)-3-ethylpiperidin-1-yl]methanone?
The canonical SMILES for [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(3R)-3-ethylpiperidin-1-yl]methanone is CC[C@@H]1CCCN(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]-[(3R)-3-ethylpiperidin-1-yl]methanone?
The InChIKey is LGCIZDYPKPLDMP-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23ClN4O/c1-3-14-5-4-8-24(12-14)19(25)15-9-17(20)18(22-10-15)23-16-7-6-13(2)21-11-16/h6-7,9-11,14H,3-5,8,12H2,1-2H3,(H,22,23)/t14-/m1/s1.
What are the key properties of [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(3R)-3-ethylpiperidin-1-yl]methanone?
[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(3R)-3-ethylpiperidin-1-yl]methanone has a molecular weight of 358.87 g/mol, XLogP of 4.44, 4 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]-[(3R)-3-ethylpiperidin-1-yl]methanone is sourced from PubChem (CID 23725809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).