1-[4-[6-[[1-(cyclopropanecarbonyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]amino]-3-pyridinyl]phenyl]pyrrolidin-2-one

C26H25N5O3 — CID 142612441

IUPAC1-[4-[6-[[1-(cyclopropanecarbonyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]amino]-3-pyridinyl]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(-c2ccc(Nc3cnc4c(c3)N(C(=O)C3CC3)CCO4)nc2)cc1
InChIInChI=1S/C26H25N5O3/c32-24-2-1-11-30(24)21-8-5-17(6-9-21)19-7-10-23(27-15-19)29-20-14-22-25(28-16-20)34-13-12-31(22)26(33)18-3-4-18/h5-10,14-16,18H,1-4,11-13H2,(H,27,29)
InChIKeyDNDHGIWDHOFZAN-UHFFFAOYSA-N
MW455.52 g/mol
LogP4.15
Rot. Bonds5

About 1-[4-[6-[[1-(cyclopropanecarbonyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]amino]-3-pyridinyl]phenyl]pyrrolidin-2-one

1-[4-[6-[[1-(cyclopropanecarbonyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]amino]-3-pyridinyl]phenyl]pyrrolidin-2-one (PubChem CID 142612441) has the molecular formula C26H25N5O3 and a molecular weight of 455.52 g/mol. Its IUPAC name is 1-[4-[6-[[1-(cyclopropanecarbonyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]amino]-3-pyridinyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[6-[[1-(cyclopropanecarbonyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]amino]-3-pyridinyl]phenyl]pyrrolidin-2-one
PubChem CID142612441
Molecular FormulaC26H25N5O3
Molecular Weight455.52 g/mol
Exact Mass455.20
IUPAC Name1-[4-[6-[[1-(cyclopropanecarbonyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]amino]-3-pyridinyl]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(-c2ccc(Nc3cnc4c(c3)N(C(=O)C3CC3)CCO4)nc2)cc1
InChIInChI=1S/C26H25N5O3/c32-24-2-1-11-30(24)21-8-5-17(6-9-21)19-7-10-23(27-15-19)29-20-14-22-25(28-16-20)34-13-12-31(22)26(33)18-3-4-18/h5-10,14-16,18H,1-4,11-13H2,(H,27,29)
InChIKeyDNDHGIWDHOFZAN-UHFFFAOYSA-N
XLogP4.15
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[6-[[1-(cyclopropanecarbonyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]amino]-3-pyridinyl]phenyl]pyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-[[1-(cyclopropanecarbonyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]amino]-3-pyridinyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[6-[[1-(cyclopropanecarbonyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]amino]-3-pyridinyl]phenyl]pyrrolidin-2-one (CID 142612441) is 1-[4-[6-[[1-(cyclopropanecarbonyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]amino]-3-pyridinyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[6-[[1-(cyclopropanecarbonyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]amino]-3-pyridinyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[6-[[1-(cyclopropanecarbonyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]amino]-3-pyridinyl]phenyl]pyrrolidin-2-one is O=C1CCCN1c1ccc(-c2ccc(Nc3cnc4c(c3)N(C(=O)C3CC3)CCO4)nc2)cc1.
What is the InChIKey of 1-[4-[6-[[1-(cyclopropanecarbonyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]amino]-3-pyridinyl]phenyl]pyrrolidin-2-one?
The InChIKey is DNDHGIWDHOFZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3/c32-24-2-1-11-30(24)21-8-5-17(6-9-21)19-7-10-23(27-15-19)29-20-14-22-25(28-16-20)34-13-12-31(22)26(33)18-3-4-18/h5-10,14-16,18H,1-4,11-13H2,(H,27,29).
What are the key properties of 1-[4-[6-[[1-(cyclopropanecarbonyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]amino]-3-pyridinyl]phenyl]pyrrolidin-2-one?
1-[4-[6-[[1-(cyclopropanecarbonyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]amino]-3-pyridinyl]phenyl]pyrrolidin-2-one has a molecular weight of 455.52 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-[[1-(cyclopropanecarbonyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]amino]-3-pyridinyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 142612441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).