N-[5-[[3,4-dioxo-2-(pyridin-4-ylamino)cyclobuten-1-yl]amino]pentyl]morpholine-2-carboxamide

C19H25N5O4 — CID 88876319

IUPACN-[5-[[3,4-dioxo-2-(pyridin-4-ylamino)cyclobuten-1-yl]amino]pentyl]morpholine-2-carboxamide
SMILESO=C(NCCCCCNc1c(Nc2ccncc2)c(=O)c1=O)C1CNCCO1
InChIInChI=1S/C19H25N5O4/c25-17-15(16(18(17)26)24-13-4-8-20-9-5-13)22-6-2-1-3-7-23-19(27)14-12-21-10-11-28-14/h4-5,8-9,14,21-22H,1-3,6-7,10-12H2,(H,20,24)(H,23,27)
InChIKeyVJUSBBXNWWMTCF-UHFFFAOYSA-N
MW387.44 g/mol
LogP0.11
Rot. Bonds10

About N-[5-[[3,4-dioxo-2-(pyridin-4-ylamino)cyclobuten-1-yl]amino]pentyl]morpholine-2-carboxamide

N-[5-[[3,4-dioxo-2-(pyridin-4-ylamino)cyclobuten-1-yl]amino]pentyl]morpholine-2-carboxamide (PubChem CID 88876319) has the molecular formula C19H25N5O4 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[5-[[3,4-dioxo-2-(pyridin-4-ylamino)cyclobuten-1-yl]amino]pentyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[[3,4-dioxo-2-(pyridin-4-ylamino)cyclobuten-1-yl]amino]pentyl]morpholine-2-carboxamide
PubChem CID88876319
Molecular FormulaC19H25N5O4
Molecular Weight387.44 g/mol
Exact Mass387.19
IUPAC NameN-[5-[[3,4-dioxo-2-(pyridin-4-ylamino)cyclobuten-1-yl]amino]pentyl]morpholine-2-carboxamide
SMILESO=C(NCCCCCNc1c(Nc2ccncc2)c(=O)c1=O)C1CNCCO1
InChIInChI=1S/C19H25N5O4/c25-17-15(16(18(17)26)24-13-4-8-20-9-5-13)22-6-2-1-3-7-23-19(27)14-12-21-10-11-28-14/h4-5,8-9,14,21-22H,1-3,6-7,10-12H2,(H,20,24)(H,23,27)
InChIKeyVJUSBBXNWWMTCF-UHFFFAOYSA-N
XLogP0.11
TPSA121.45 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 50.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[5-[[3,4-dioxo-2-(pyridin-4-ylamino)cyclobuten-1-yl]amino]pentyl]morpholine-2-carboxamide with MolForge

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Related Compounds

3-[4-(3-Oxomorpholin-4-yl)anilino]-4-(pyridin-2-ylmethylamino)cyclobut-3-ene-1,2-dione
CID 162643070
5-methoxy-4-oxo-N-(pyridin-4-yl)-4H-pyran-2-carboxamide
CID 49653779
3-((2-Hydroxy-3-morpholinopropyl)amino)-4-((pyridin-2-ylmethyl)amino)cyclobut-3-ene-1,2-dione
CID 53370200
3-((2-Hydroxy-3-morpholinopropyl)amino)-4-((pyridin-4-ylmethyl)amino)cyclobut-3-ene-1,2-dione
CID 53371133
4-oxo-5-(2-oxo-2-(phenylamino)ethoxy)-N-(pyridin-4-yl)-4H-pyran-2-carboxamide
CID 30864826
2-(2-(2-methoxyethoxy)ethoxy)-N-(pyridin-4-yl)acetamide
CID 91971358
2-[(4-hydroxy-2-methylpyridin-3-yl)oxy]-N-(pyridin-4-yl)acetamide
CID 49657161
(2S)-2-(cyclopropylmethoxy)-N-pyridin-4-ylpropanamide
CID 95236352
(2S)-N-(4-piperidin-1-yl-3-pyridinyl)-2-prop-2-enoxypropanamide
CID 95767644
2-[2-oxo-2-(pyridin-4-ylamino)ethoxy]-N-pyridin-4-ylacetamide
CID 121558941
(2S)-4-methyl-N-[2-(pyridin-4-ylamino)phenyl]morpholine-2-carboxamide
CID 125530935
(2S)-4-(3-fluoro-4-pyridinyl)-N,N-dimethylmorpholine-2-carboxamide
CID 164631335

Frequently Asked Questions

What is the IUPAC name of N-[5-[[3,4-dioxo-2-(pyridin-4-ylamino)cyclobuten-1-yl]amino]pentyl]morpholine-2-carboxamide?
The IUPAC name of N-[5-[[3,4-dioxo-2-(pyridin-4-ylamino)cyclobuten-1-yl]amino]pentyl]morpholine-2-carboxamide (CID 88876319) is N-[5-[[3,4-dioxo-2-(pyridin-4-ylamino)cyclobuten-1-yl]amino]pentyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[5-[[3,4-dioxo-2-(pyridin-4-ylamino)cyclobuten-1-yl]amino]pentyl]morpholine-2-carboxamide?
The canonical SMILES for N-[5-[[3,4-dioxo-2-(pyridin-4-ylamino)cyclobuten-1-yl]amino]pentyl]morpholine-2-carboxamide is O=C(NCCCCCNc1c(Nc2ccncc2)c(=O)c1=O)C1CNCCO1.
What is the InChIKey of N-[5-[[3,4-dioxo-2-(pyridin-4-ylamino)cyclobuten-1-yl]amino]pentyl]morpholine-2-carboxamide?
The InChIKey is VJUSBBXNWWMTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O4/c25-17-15(16(18(17)26)24-13-4-8-20-9-5-13)22-6-2-1-3-7-23-19(27)14-12-21-10-11-28-14/h4-5,8-9,14,21-22H,1-3,6-7,10-12H2,(H,20,24)(H,23,27).
What are the key properties of N-[5-[[3,4-dioxo-2-(pyridin-4-ylamino)cyclobuten-1-yl]amino]pentyl]morpholine-2-carboxamide?
N-[5-[[3,4-dioxo-2-(pyridin-4-ylamino)cyclobuten-1-yl]amino]pentyl]morpholine-2-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 0.11, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3,4-dioxo-2-(pyridin-4-ylamino)cyclobuten-1-yl]amino]pentyl]morpholine-2-carboxamide is sourced from PubChem (CID 88876319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).