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

C20H25ClN4O — CID 23725760

IUPAC[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(2R)-2-propan-2-ylpiperidin-1-yl]methanone
SMILESCc1ccc(Nc2ncc(C(=O)N3CCCC[C@@H]3C(C)C)cc2Cl)cn1
InChIInChI=1S/C20H25ClN4O/c1-13(2)18-6-4-5-9-25(18)20(26)15-10-17(21)19(23-11-15)24-16-8-7-14(3)22-12-16/h7-8,10-13,18H,4-6,9H2,1-3H3,(H,23,24)/t18-/m1/s1
InChIKeyTWZOJPNADIKKCZ-GOSISDBHSA-N
MW372.90 g/mol
LogP4.83
Rot. Bonds4

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

[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(2R)-2-propan-2-ylpiperidin-1-yl]methanone (PubChem CID 23725760) 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]-[(2R)-2-propan-2-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(2R)-2-propan-2-ylpiperidin-1-yl]methanone
PubChem CID23725760
Molecular FormulaC20H25ClN4O
Molecular Weight372.90 g/mol
Exact Mass372.17
IUPAC Name[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(2R)-2-propan-2-ylpiperidin-1-yl]methanone
SMILESCc1ccc(Nc2ncc(C(=O)N3CCCC[C@@H]3C(C)C)cc2Cl)cn1
InChIInChI=1S/C20H25ClN4O/c1-13(2)18-6-4-5-9-25(18)20(26)15-10-17(21)19(23-11-15)24-16-8-7-14(3)22-12-16/h7-8,10-13,18H,4-6,9H2,1-3H3,(H,23,24)/t18-/m1/s1
InChIKeyTWZOJPNADIKKCZ-GOSISDBHSA-N
XLogP4.83
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(2R)-2-propan-2-ylpiperidin-1-yl]methanone?
The IUPAC name of [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(2R)-2-propan-2-ylpiperidin-1-yl]methanone (CID 23725760) is [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(2R)-2-propan-2-ylpiperidin-1-yl]methanone.
What is the SMILES notation for [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(2R)-2-propan-2-ylpiperidin-1-yl]methanone?
The canonical SMILES for [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(2R)-2-propan-2-ylpiperidin-1-yl]methanone is Cc1ccc(Nc2ncc(C(=O)N3CCCC[C@@H]3C(C)C)cc2Cl)cn1.
What is the InChIKey of [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(2R)-2-propan-2-ylpiperidin-1-yl]methanone?
The InChIKey is TWZOJPNADIKKCZ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H25ClN4O/c1-13(2)18-6-4-5-9-25(18)20(26)15-10-17(21)19(23-11-15)24-16-8-7-14(3)22-12-16/h7-8,10-13,18H,4-6,9H2,1-3H3,(H,23,24)/t18-/m1/s1.
What are the key properties of [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(2R)-2-propan-2-ylpiperidin-1-yl]methanone?
[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(2R)-2-propan-2-ylpiperidin-1-yl]methanone has a molecular weight of 372.90 g/mol, XLogP of 4.83, 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]-[(2R)-2-propan-2-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 23725760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).