[3-[6-[(4-methoxy-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone

C23H25N5O2 — CID 118725469

IUPAC[3-[6-[(4-methoxy-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
SMILESCOc1ccnc(Nc2cc(C3CCCN(C(=O)c4ccccc4)C3)nc(C)n2)c1
InChIInChI=1S/C23H25N5O2/c1-16-25-20(14-22(26-16)27-21-13-19(30-2)10-11-24-21)18-9-6-12-28(15-18)23(29)17-7-4-3-5-8-17/h3-5,7-8,10-11,13-14,18H,6,9,12,15H2,1-2H3,(H,24,25,26,27)
InChIKeySUZLQCNSEYYNFG-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.95
Rot. Bonds5

About [3-[6-[(4-methoxy-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone

[3-[6-[(4-methoxy-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone (PubChem CID 118725469) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is [3-[6-[(4-methoxy-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-[6-[(4-methoxy-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
PubChem CID118725469
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name[3-[6-[(4-methoxy-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
SMILESCOc1ccnc(Nc2cc(C3CCCN(C(=O)c4ccccc4)C3)nc(C)n2)c1
InChIInChI=1S/C23H25N5O2/c1-16-25-20(14-22(26-16)27-21-13-19(30-2)10-11-24-21)18-9-6-12-28(15-18)23(29)17-7-4-3-5-8-17/h3-5,7-8,10-11,13-14,18H,6,9,12,15H2,1-2H3,(H,24,25,26,27)
InChIKeySUZLQCNSEYYNFG-UHFFFAOYSA-N
XLogP3.95
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[6-[(4-methoxy-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [3-[6-[(4-methoxy-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone (CID 118725469) is [3-[6-[(4-methoxy-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [3-[6-[(4-methoxy-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [3-[6-[(4-methoxy-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone is COc1ccnc(Nc2cc(C3CCCN(C(=O)c4ccccc4)C3)nc(C)n2)c1.
What is the InChIKey of [3-[6-[(4-methoxy-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone?
The InChIKey is SUZLQCNSEYYNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-16-25-20(14-22(26-16)27-21-13-19(30-2)10-11-24-21)18-9-6-12-28(15-18)23(29)17-7-4-3-5-8-17/h3-5,7-8,10-11,13-14,18H,6,9,12,15H2,1-2H3,(H,24,25,26,27).
What are the key properties of [3-[6-[(4-methoxy-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone?
[3-[6-[(4-methoxy-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone has a molecular weight of 403.49 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-[(4-methoxy-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 118725469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).