[1-[5-carbamoyl-4-[[2-(3,6-dihydro-2H-pyran-4-yl)-6-prop-1-en-2-yl-4-pyridinyl]amino]pyrimidin-2-yl]piperidin-3-yl] carbamate

C24H29N7O4 — CID 175081588

IUPAC[1-[5-carbamoyl-4-[[2-(3,6-dihydro-2H-pyran-4-yl)-6-prop-1-en-2-yl-4-pyridinyl]amino]pyrimidin-2-yl]piperidin-3-yl] carbamate
SMILESC=C(C)c1cc(Nc2nc(N3CCCC(OC(N)=O)C3)ncc2C(N)=O)cc(C2=CCOCC2)n1
InChIInChI=1S/C24H29N7O4/c1-14(2)19-10-16(11-20(29-19)15-5-8-34-9-6-15)28-22-18(21(25)32)12-27-24(30-22)31-7-3-4-17(13-31)35-23(26)33/h5,10-12,17H,1,3-4,6-9,13H2,2H3,(H2,25,32)(H2,26,33)(H,27,28,29,30)
InChIKeyCAOIDAYGDYQUKV-UHFFFAOYSA-N
MW479.54 g/mol
LogP2.62
Rot. Bonds7

About [1-[5-carbamoyl-4-[[2-(3,6-dihydro-2H-pyran-4-yl)-6-prop-1-en-2-yl-4-pyridinyl]amino]pyrimidin-2-yl]piperidin-3-yl] carbamate

[1-[5-carbamoyl-4-[[2-(3,6-dihydro-2H-pyran-4-yl)-6-prop-1-en-2-yl-4-pyridinyl]amino]pyrimidin-2-yl]piperidin-3-yl] carbamate (PubChem CID 175081588) has the molecular formula C24H29N7O4 and a molecular weight of 479.54 g/mol. Its IUPAC name is [1-[5-carbamoyl-4-[[2-(3,6-dihydro-2H-pyran-4-yl)-6-prop-1-en-2-yl-4-pyridinyl]amino]pyrimidin-2-yl]piperidin-3-yl] carbamate.

Molecular Properties

Compound Name[1-[5-carbamoyl-4-[[2-(3,6-dihydro-2H-pyran-4-yl)-6-prop-1-en-2-yl-4-pyridinyl]amino]pyrimidin-2-yl]piperidin-3-yl] carbamate
PubChem CID175081588
Molecular FormulaC24H29N7O4
Molecular Weight479.54 g/mol
Exact Mass479.23
IUPAC Name[1-[5-carbamoyl-4-[[2-(3,6-dihydro-2H-pyran-4-yl)-6-prop-1-en-2-yl-4-pyridinyl]amino]pyrimidin-2-yl]piperidin-3-yl] carbamate
SMILESC=C(C)c1cc(Nc2nc(N3CCCC(OC(N)=O)C3)ncc2C(N)=O)cc(C2=CCOCC2)n1
InChIInChI=1S/C24H29N7O4/c1-14(2)19-10-16(11-20(29-19)15-5-8-34-9-6-15)28-22-18(21(25)32)12-27-24(30-22)31-7-3-4-17(13-31)35-23(26)33/h5,10-12,17H,1,3-4,6-9,13H2,2H3,(H2,25,32)(H2,26,33)(H,27,28,29,30)
InChIKeyCAOIDAYGDYQUKV-UHFFFAOYSA-N
XLogP2.62
TPSA158.58 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze [1-[5-carbamoyl-4-[[2-(3,6-dihydro-2H-pyran-4-yl)-6-prop-1-en-2-yl-4-pyridinyl]amino]pyrimidin-2-yl]piperidin-3-yl] carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-[5-carbamoyl-4-[[2-(3,6-dihydro-2H-pyran-4-yl)-6-prop-1-en-2-yl-4-pyridinyl]amino]pyrimidin-2-yl]piperidin-3-yl] carbamate?
The IUPAC name of [1-[5-carbamoyl-4-[[2-(3,6-dihydro-2H-pyran-4-yl)-6-prop-1-en-2-yl-4-pyridinyl]amino]pyrimidin-2-yl]piperidin-3-yl] carbamate (CID 175081588) is [1-[5-carbamoyl-4-[[2-(3,6-dihydro-2H-pyran-4-yl)-6-prop-1-en-2-yl-4-pyridinyl]amino]pyrimidin-2-yl]piperidin-3-yl] carbamate.
What is the SMILES notation for [1-[5-carbamoyl-4-[[2-(3,6-dihydro-2H-pyran-4-yl)-6-prop-1-en-2-yl-4-pyridinyl]amino]pyrimidin-2-yl]piperidin-3-yl] carbamate?
The canonical SMILES for [1-[5-carbamoyl-4-[[2-(3,6-dihydro-2H-pyran-4-yl)-6-prop-1-en-2-yl-4-pyridinyl]amino]pyrimidin-2-yl]piperidin-3-yl] carbamate is C=C(C)c1cc(Nc2nc(N3CCCC(OC(N)=O)C3)ncc2C(N)=O)cc(C2=CCOCC2)n1.
What is the InChIKey of [1-[5-carbamoyl-4-[[2-(3,6-dihydro-2H-pyran-4-yl)-6-prop-1-en-2-yl-4-pyridinyl]amino]pyrimidin-2-yl]piperidin-3-yl] carbamate?
The InChIKey is CAOIDAYGDYQUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O4/c1-14(2)19-10-16(11-20(29-19)15-5-8-34-9-6-15)28-22-18(21(25)32)12-27-24(30-22)31-7-3-4-17(13-31)35-23(26)33/h5,10-12,17H,1,3-4,6-9,13H2,2H3,(H2,25,32)(H2,26,33)(H,27,28,29,30).
What are the key properties of [1-[5-carbamoyl-4-[[2-(3,6-dihydro-2H-pyran-4-yl)-6-prop-1-en-2-yl-4-pyridinyl]amino]pyrimidin-2-yl]piperidin-3-yl] carbamate?
[1-[5-carbamoyl-4-[[2-(3,6-dihydro-2H-pyran-4-yl)-6-prop-1-en-2-yl-4-pyridinyl]amino]pyrimidin-2-yl]piperidin-3-yl] carbamate has a molecular weight of 479.54 g/mol, XLogP of 2.62, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-carbamoyl-4-[[2-(3,6-dihydro-2H-pyran-4-yl)-6-prop-1-en-2-yl-4-pyridinyl]amino]pyrimidin-2-yl]piperidin-3-yl] carbamate is sourced from PubChem (CID 175081588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).