1-ethyl-2-imino-N,10-dimethyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide

C16H17N5O2 — CID 660105

IUPAC7-ethyl-6-imino-N,11-dimethyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
SMILESCCN1C2=C(C=C(C1=N)C(=O)NC)C(=O)N3C=CC=C(C3=N2)C
InChIInChI=1S/C16H17N5O2/c1-4-20-12(17)10(15(22)18-3)8-11-14(20)19-13-9(2)6-5-7-21(13)16(11)23/h5-8,17H,4H2,1-3H3,(H,18,22)
InChIKeyNQBGFGFQNAOPIR-UHFFFAOYSA-N
MW311.34 g/mol
LogP0.30
Rot. Bonds2

About 1-ethyl-2-imino-N,10-dimethyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide

1-ethyl-2-imino-N,10-dimethyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide (PubChem CID 660105) has the molecular formula C16H17N5O2 and a molecular weight of 311.34 g/mol. Its IUPAC name is 7-ethyl-6-imino-N,11-dimethyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-2-imino-N,10-dimethyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
PubChem CID660105
Molecular FormulaC16H17N5O2
Molecular Weight311.34 g/mol
Exact Mass311.14
IUPAC Name7-ethyl-6-imino-N,11-dimethyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
SMILESCCN1C2=C(C=C(C1=N)C(=O)NC)C(=O)N3C=CC=C(C3=N2)C
InChIInChI=1S/C16H17N5O2/c1-4-20-12(17)10(15(22)18-3)8-11-14(20)19-13-9(2)6-5-7-21(13)16(11)23/h5-8,17H,4H2,1-3H3,(H,18,22)
InChIKeyNQBGFGFQNAOPIR-UHFFFAOYSA-N
XLogP0.30
TPSA88.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity782

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-Imino-1-isopropyl-N-(3-methoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxamide
CID 653603
2-Imino-1-isopropyl-N,10-dimethyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxamide
CID 750944
1-Cyclohexyl-N-cyclopentyl-2-imino-5-oxo-1,5-dihydro-2H-dipyrido(1,2-A:2,3-D)pyrimidine-3-carboxamide
CID 1077531
1-Cyclohexyl-N-cyclopentyl-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido(1,2-A:2,3-D)pyrimidine-3-carboxamide
CID 1077532
1-Allyl-2-imino-N-(3-methoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido(1,2-A:2,3-D)pyrimidine-3-carboxamide
CID 2929050
2-Amino-5-methyl-8-propyl-2,8-dihydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 44355725
2-Amino-8-isobutyl-5-methyl-2,8-dihydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 44355770
2-Amino-8-propyl-2,8-dihydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 44356152
2-Amino-6,8-dimethyl-2,8-dihydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 44356153
1-Allyl-N-cyclohexyl-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxamide
CID 1077406
N-cyclohexyl-1-ethyl-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide
CID 1077490
2-Imino-1-(3-methoxy-propyl)-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid cyclohexylamide
CID 3151460

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-imino-N,10-dimethyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide?
The IUPAC name of 1-ethyl-2-imino-N,10-dimethyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide (CID 660105) is 7-ethyl-6-imino-N,11-dimethyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.
What is the SMILES notation for 1-ethyl-2-imino-N,10-dimethyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide?
The canonical SMILES for 1-ethyl-2-imino-N,10-dimethyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide is CCN1C2=C(C=C(C1=N)C(=O)NC)C(=O)N3C=CC=C(C3=N2)C.
What is the InChIKey of 1-ethyl-2-imino-N,10-dimethyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide?
The InChIKey is NQBGFGFQNAOPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-4-20-12(17)10(15(22)18-3)8-11-14(20)19-13-9(2)6-5-7-21(13)16(11)23/h5-8,17H,4H2,1-3H3,(H,18,22).
What are the key properties of 1-ethyl-2-imino-N,10-dimethyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide?
1-ethyl-2-imino-N,10-dimethyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-imino-N,10-dimethyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide is sourced from PubChem (CID 660105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).