7-amino-N-(cyclohex-3-en-1-ylmethylideneamino)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

C17H20N6O3 — CID 4581087

IUPAC7-amino-N-(cyclohex-3-en-1-ylmethylideneamino)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCn1c(=O)c2cc(C(=O)NN=CC3CC=CCC3)c(N)nc2n(C)c1=O
InChIInChI=1S/C17H20N6O3/c1-22-14-12(16(25)23(2)17(22)26)8-11(13(18)20-14)15(24)21-19-9-10-6-4-3-5-7-10/h3-4,8-10H,5-7H2,1-2H3,(H2,18,20)(H,21,24)
InChIKeyMJNRNJJQSIVKEZ-UHFFFAOYSA-N
MW356.39 g/mol
LogP0.29
Rot. Bonds3

About 7-amino-N-(cyclohex-3-en-1-ylmethylideneamino)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

7-amino-N-(cyclohex-3-en-1-ylmethylideneamino)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 4581087) has the molecular formula C17H20N6O3 and a molecular weight of 356.39 g/mol. Its IUPAC name is 7-amino-N-(cyclohex-3-en-1-ylmethylideneamino)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-amino-N-(cyclohex-3-en-1-ylmethylideneamino)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID4581087
Molecular FormulaC17H20N6O3
Molecular Weight356.39 g/mol
Exact Mass356.16
IUPAC Name7-amino-N-(cyclohex-3-en-1-ylmethylideneamino)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCn1c(=O)c2cc(C(=O)NN=CC3CC=CCC3)c(N)nc2n(C)c1=O
InChIInChI=1S/C17H20N6O3/c1-22-14-12(16(25)23(2)17(22)26)8-11(13(18)20-14)15(24)21-19-9-10-6-4-3-5-7-10/h3-4,8-10H,5-7H2,1-2H3,(H2,18,20)(H,21,24)
InChIKeyMJNRNJJQSIVKEZ-UHFFFAOYSA-N
XLogP0.29
TPSA124.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)sulfanyl]acetamide
CID 8879163
6-amino-5-[[(1R)-cyclohex-3-en-1-yl]methylideneamino]-1,3-dimethylpyrimidine-2,4-dione
CID 92534250
4-chloro-N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-1-methylpyrazole-3-carboxamide
CID 6542114
N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 9078711
N-(cyclohex-3-en-1-ylmethylideneamino)-3,4,5-triethoxybenzamide
CID 4284362
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 6179032
N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110337371
N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-4-propan-2-yloxybenzamide
CID 9215546
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-5-(methoxymethyl)triazole-4-carboxamide
CID 6541525
[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]thiourea
CID 7750219
N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-4-nitrobenzamide
CID 6544583
N-[(E)-(3-hydroxy-5-nitrophenyl)methylideneamino]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 6882759

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(cyclohex-3-en-1-ylmethylideneamino)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-amino-N-(cyclohex-3-en-1-ylmethylideneamino)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 4581087) is 7-amino-N-(cyclohex-3-en-1-ylmethylideneamino)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-amino-N-(cyclohex-3-en-1-ylmethylideneamino)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-amino-N-(cyclohex-3-en-1-ylmethylideneamino)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is Cn1c(=O)c2cc(C(=O)NN=CC3CC=CCC3)c(N)nc2n(C)c1=O.
What is the InChIKey of 7-amino-N-(cyclohex-3-en-1-ylmethylideneamino)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is MJNRNJJQSIVKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O3/c1-22-14-12(16(25)23(2)17(22)26)8-11(13(18)20-14)15(24)21-19-9-10-6-4-3-5-7-10/h3-4,8-10H,5-7H2,1-2H3,(H2,18,20)(H,21,24).
What are the key properties of 7-amino-N-(cyclohex-3-en-1-ylmethylideneamino)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
7-amino-N-(cyclohex-3-en-1-ylmethylideneamino)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 356.39 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(cyclohex-3-en-1-ylmethylideneamino)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 4581087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).