methanamine;7-oxo-N-[(2Z,4E)-6-oxo-2-sulfanylhexa-2,4-dienyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carboxamide

C15H19N5O3S — CID 143245801

IUPACmethanamine;7-oxo-N-[(2Z,4E)-6-oxo-2-sulfanylhexa-2,4-dienyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carboxamide
SMILESCN.O=C/C=C/C=C(\S)CNC(=O)c1ncnc2c1CCC(=O)N2
InChIInChI=1S/C14H14N4O3S.CH5N/c19-6-2-1-3-9(22)7-15-14(21)12-10-4-5-11(20)18-13(10)17-8-16-12;1-2/h1-3,6,8,22H,4-5,7H2,(H,15,21)(H,16,17,18,20);2H2,1H3/b2-1+,9-3-;
InChIKeyZZBOSWAOCAWRCY-UXUWKTSMSA-N
MW349.42 g/mol
LogP0.23
Rot. Bonds5

About methanamine;7-oxo-N-[(2Z,4E)-6-oxo-2-sulfanylhexa-2,4-dienyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carboxamide

methanamine;7-oxo-N-[(2Z,4E)-6-oxo-2-sulfanylhexa-2,4-dienyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carboxamide (PubChem CID 143245801) has the molecular formula C15H19N5O3S and a molecular weight of 349.42 g/mol. Its IUPAC name is methanamine;7-oxo-N-[(2Z,4E)-6-oxo-2-sulfanylhexa-2,4-dienyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound Namemethanamine;7-oxo-N-[(2Z,4E)-6-oxo-2-sulfanylhexa-2,4-dienyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carboxamide
PubChem CID143245801
Molecular FormulaC15H19N5O3S
Molecular Weight349.42 g/mol
Exact Mass349.12
IUPAC Namemethanamine;7-oxo-N-[(2Z,4E)-6-oxo-2-sulfanylhexa-2,4-dienyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carboxamide
SMILESCN.O=C/C=C/C=C(\S)CNC(=O)c1ncnc2c1CCC(=O)N2
InChIInChI=1S/C14H14N4O3S.CH5N/c19-6-2-1-3-9(22)7-15-14(21)12-10-4-5-11(20)18-13(10)17-8-16-12;1-2/h1-3,6,8,22H,4-5,7H2,(H,15,21)(H,16,17,18,20);2H2,1H3/b2-1+,9-3-;
InChIKeyZZBOSWAOCAWRCY-UXUWKTSMSA-N
XLogP0.23
TPSA127.07 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 50.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze methanamine;7-oxo-N-[(2Z,4E)-6-oxo-2-sulfanylhexa-2,4-dienyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carboxamide with MolForge

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Related Compounds

4-propyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 59421424
N-[5-[(2S)-4-oxo-4-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)butan-2-yl]-1,2-oxazol-3-yl]acetamide
CID 58182647
N-[(1R)-1-[3-[(3-methoxybenzoyl)amino]-1,2-oxazol-5-yl]ethyl]-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carboxamide
CID 58710475
ethane;4-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 123908456
7-oxo-N-[(1R)-1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-2-yl]ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carboxamide
CID 143245819
4-[(3S)-3-[5-[2-(4-tert-butylphenyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 58182601
4-ethyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
CID 126618268
4-[(3S)-3-[5-[2-(5-tert-butyl-2H-pyrrol-3-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 58182622
4-[(3S)-3-[5-[2-(2-tert-butylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 58182534
5-ethyliodanuidyl-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 163523317
1-methyl-3,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-2,10-dione
CID 170093545
N-hydroxy-6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 58055673

Frequently Asked Questions

What is the IUPAC name of methanamine;7-oxo-N-[(2Z,4E)-6-oxo-2-sulfanylhexa-2,4-dienyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carboxamide?
The IUPAC name of methanamine;7-oxo-N-[(2Z,4E)-6-oxo-2-sulfanylhexa-2,4-dienyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carboxamide (CID 143245801) is methanamine;7-oxo-N-[(2Z,4E)-6-oxo-2-sulfanylhexa-2,4-dienyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carboxamide.
What is the SMILES notation for methanamine;7-oxo-N-[(2Z,4E)-6-oxo-2-sulfanylhexa-2,4-dienyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carboxamide?
The canonical SMILES for methanamine;7-oxo-N-[(2Z,4E)-6-oxo-2-sulfanylhexa-2,4-dienyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carboxamide is CN.O=C/C=C/C=C(\S)CNC(=O)c1ncnc2c1CCC(=O)N2.
What is the InChIKey of methanamine;7-oxo-N-[(2Z,4E)-6-oxo-2-sulfanylhexa-2,4-dienyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carboxamide?
The InChIKey is ZZBOSWAOCAWRCY-UXUWKTSMSA-N. The full InChI is InChI=1S/C14H14N4O3S.CH5N/c19-6-2-1-3-9(22)7-15-14(21)12-10-4-5-11(20)18-13(10)17-8-16-12;1-2/h1-3,6,8,22H,4-5,7H2,(H,15,21)(H,16,17,18,20);2H2,1H3/b2-1+,9-3-;.
What are the key properties of methanamine;7-oxo-N-[(2Z,4E)-6-oxo-2-sulfanylhexa-2,4-dienyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carboxamide?
methanamine;7-oxo-N-[(2Z,4E)-6-oxo-2-sulfanylhexa-2,4-dienyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carboxamide has a molecular weight of 349.42 g/mol, XLogP of 0.23, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;7-oxo-N-[(2Z,4E)-6-oxo-2-sulfanylhexa-2,4-dienyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 143245801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).