3-amino-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)bicyclo[2.2.1]heptane-2-carboxamide

C17H21N5O3 — CID 119837917

IUPAC3-amino-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCn1c(=O)c2cc(NC(=O)C3C4CCC(C4)C3N)cnc2n(C)c1=O
InChIInChI=1S/C17H21N5O3/c1-21-14-11(16(24)22(2)17(21)25)6-10(7-19-14)20-15(23)12-8-3-4-9(5-8)13(12)18/h6-9,12-13H,3-5,18H2,1-2H3,(H,20,23)
InChIKeyWWLLEUVJUGUXNM-UHFFFAOYSA-N
MW343.39 g/mol
LogP-0.06
Rot. Bonds2

About 3-amino-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119837917) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 3-amino-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119837917
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name3-amino-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCn1c(=O)c2cc(NC(=O)C3C4CCC(C4)C3N)cnc2n(C)c1=O
InChIInChI=1S/C17H21N5O3/c1-21-14-11(16(24)22(2)17(21)25)6-10(7-19-14)20-15(23)12-8-3-4-9(5-8)13(12)18/h6-9,12-13H,3-5,18H2,1-2H3,(H,20,23)
InChIKeyWWLLEUVJUGUXNM-UHFFFAOYSA-N
XLogP-0.06
TPSA112.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)bicyclo[2.2.1]heptane-2-carboxamide (CID 119837917) is 3-amino-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)bicyclo[2.2.1]heptane-2-carboxamide is Cn1c(=O)c2cc(NC(=O)C3C4CCC(C4)C3N)cnc2n(C)c1=O.
What is the InChIKey of 3-amino-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is WWLLEUVJUGUXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-21-14-11(16(24)22(2)17(21)25)6-10(7-19-14)20-15(23)12-8-3-4-9(5-8)13(12)18/h6-9,12-13H,3-5,18H2,1-2H3,(H,20,23).
What are the key properties of 3-amino-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 343.39 g/mol, XLogP of -0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119837917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).