4-amino-N-propyl-8-pyrimidin-2-ylcinnoline-3-carboxamide

C16H16N6O — CID 50915192

IUPAC4-amino-N-propyl-8-pyrimidin-2-ylcinnoline-3-carboxamide
SMILESCCCNC(=O)c1nnc2c(-c3ncccn3)cccc2c1N
InChIInChI=1S/C16H16N6O/c1-2-7-20-16(23)14-12(17)10-5-3-6-11(13(10)21-22-14)15-18-8-4-9-19-15/h3-6,8-9H,2,7H2,1H3,(H2,17,21)(H,20,23)
InChIKeyLHKDIYKHGIOMPL-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.81
Rot. Bonds4

About 4-amino-N-propyl-8-pyrimidin-2-ylcinnoline-3-carboxamide

4-amino-N-propyl-8-pyrimidin-2-ylcinnoline-3-carboxamide (PubChem CID 50915192) has the molecular formula C16H16N6O and a molecular weight of 308.35 g/mol. Its IUPAC name is 4-amino-N-propyl-8-pyrimidin-2-ylcinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-propyl-8-pyrimidin-2-ylcinnoline-3-carboxamide
PubChem CID50915192
Molecular FormulaC16H16N6O
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC Name4-amino-N-propyl-8-pyrimidin-2-ylcinnoline-3-carboxamide
SMILESCCCNC(=O)c1nnc2c(-c3ncccn3)cccc2c1N
InChIInChI=1S/C16H16N6O/c1-2-7-20-16(23)14-12(17)10-5-3-6-11(13(10)21-22-14)15-18-8-4-9-19-15/h3-6,8-9H,2,7H2,1H3,(H2,17,21)(H,20,23)
InChIKeyLHKDIYKHGIOMPL-UHFFFAOYSA-N
XLogP1.81
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-propyl-8-pyrimidin-2-ylcinnoline-3-carboxamide?
The IUPAC name of 4-amino-N-propyl-8-pyrimidin-2-ylcinnoline-3-carboxamide (CID 50915192) is 4-amino-N-propyl-8-pyrimidin-2-ylcinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-N-propyl-8-pyrimidin-2-ylcinnoline-3-carboxamide?
The canonical SMILES for 4-amino-N-propyl-8-pyrimidin-2-ylcinnoline-3-carboxamide is CCCNC(=O)c1nnc2c(-c3ncccn3)cccc2c1N.
What is the InChIKey of 4-amino-N-propyl-8-pyrimidin-2-ylcinnoline-3-carboxamide?
The InChIKey is LHKDIYKHGIOMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c1-2-7-20-16(23)14-12(17)10-5-3-6-11(13(10)21-22-14)15-18-8-4-9-19-15/h3-6,8-9H,2,7H2,1H3,(H2,17,21)(H,20,23).
What are the key properties of 4-amino-N-propyl-8-pyrimidin-2-ylcinnoline-3-carboxamide?
4-amino-N-propyl-8-pyrimidin-2-ylcinnoline-3-carboxamide has a molecular weight of 308.35 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-propyl-8-pyrimidin-2-ylcinnoline-3-carboxamide is sourced from PubChem (CID 50915192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).