2-[[3-cyano-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]propanamide

C23H25N9O2 — CID 90369537

IUPAC2-[[3-cyano-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]propanamide
SMILESCC(Nc1ncc(-c2ccnc(Nc3ccc(CN4CCOCC4)nc3)n2)cc1C#N)C(N)=O
InChIInChI=1S/C23H25N9O2/c1-15(21(25)33)29-22-16(11-24)10-17(12-28-22)20-4-5-26-23(31-20)30-18-2-3-19(27-13-18)14-32-6-8-34-9-7-32/h2-5,10,12-13,15H,6-9,14H2,1H3,(H2,25,33)(H,28,29)(H,26,30,31)
InChIKeyUURLASBXAPASGI-UHFFFAOYSA-N
MW459.51 g/mol
LogP1.67
Rot. Bonds8

About 2-[[3-cyano-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]propanamide

2-[[3-cyano-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]propanamide (PubChem CID 90369537) has the molecular formula C23H25N9O2 and a molecular weight of 459.51 g/mol. Its IUPAC name is 2-[[3-cyano-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]propanamide.

Molecular Properties

Compound Name2-[[3-cyano-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]propanamide
PubChem CID90369537
Molecular FormulaC23H25N9O2
Molecular Weight459.51 g/mol
Exact Mass459.21
IUPAC Name2-[[3-cyano-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]propanamide
SMILESCC(Nc1ncc(-c2ccnc(Nc3ccc(CN4CCOCC4)nc3)n2)cc1C#N)C(N)=O
InChIInChI=1S/C23H25N9O2/c1-15(21(25)33)29-22-16(11-24)10-17(12-28-22)20-4-5-26-23(31-20)30-18-2-3-19(27-13-18)14-32-6-8-34-9-7-32/h2-5,10,12-13,15H,6-9,14H2,1H3,(H2,25,33)(H,28,29)(H,26,30,31)
InChIKeyUURLASBXAPASGI-UHFFFAOYSA-N
XLogP1.67
TPSA154.97 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-cyano-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]propanamide?
The IUPAC name of 2-[[3-cyano-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]propanamide (CID 90369537) is 2-[[3-cyano-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]propanamide.
What is the SMILES notation for 2-[[3-cyano-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]propanamide?
The canonical SMILES for 2-[[3-cyano-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]propanamide is CC(Nc1ncc(-c2ccnc(Nc3ccc(CN4CCOCC4)nc3)n2)cc1C#N)C(N)=O.
What is the InChIKey of 2-[[3-cyano-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]propanamide?
The InChIKey is UURLASBXAPASGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N9O2/c1-15(21(25)33)29-22-16(11-24)10-17(12-28-22)20-4-5-26-23(31-20)30-18-2-3-19(27-13-18)14-32-6-8-34-9-7-32/h2-5,10,12-13,15H,6-9,14H2,1H3,(H2,25,33)(H,28,29)(H,26,30,31).
What are the key properties of 2-[[3-cyano-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]propanamide?
2-[[3-cyano-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]propanamide has a molecular weight of 459.51 g/mol, XLogP of 1.67, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-cyano-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]propanamide is sourced from PubChem (CID 90369537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).