4-amino-8-(4-methoxy-3-pyridinyl)-N-propylcinnoline-3-carboxamide

C18H19N5O2 — CID 23630065

IUPAC4-amino-8-(4-methoxy-3-pyridinyl)-N-propylcinnoline-3-carboxamide
SMILESCCCNC(=O)c1nnc2c(-c3cnccc3OC)cccc2c1N
InChIInChI=1S/C18H19N5O2/c1-3-8-21-18(24)17-15(19)12-6-4-5-11(16(12)22-23-17)13-10-20-9-7-14(13)25-2/h4-7,9-10H,3,8H2,1-2H3,(H2,19,22)(H,21,24)
InChIKeyVHGIDFXNMYWNMX-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.42
Rot. Bonds5

About 4-amino-8-(4-methoxy-3-pyridinyl)-N-propylcinnoline-3-carboxamide

4-amino-8-(4-methoxy-3-pyridinyl)-N-propylcinnoline-3-carboxamide (PubChem CID 23630065) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-amino-8-(4-methoxy-3-pyridinyl)-N-propylcinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-8-(4-methoxy-3-pyridinyl)-N-propylcinnoline-3-carboxamide
PubChem CID23630065
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name4-amino-8-(4-methoxy-3-pyridinyl)-N-propylcinnoline-3-carboxamide
SMILESCCCNC(=O)c1nnc2c(-c3cnccc3OC)cccc2c1N
InChIInChI=1S/C18H19N5O2/c1-3-8-21-18(24)17-15(19)12-6-4-5-11(16(12)22-23-17)13-10-20-9-7-14(13)25-2/h4-7,9-10H,3,8H2,1-2H3,(H2,19,22)(H,21,24)
InChIKeyVHGIDFXNMYWNMX-UHFFFAOYSA-N
XLogP2.42
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-8-(4-methoxy-3-pyridinyl)-N-propylcinnoline-3-carboxamide?
The IUPAC name of 4-amino-8-(4-methoxy-3-pyridinyl)-N-propylcinnoline-3-carboxamide (CID 23630065) is 4-amino-8-(4-methoxy-3-pyridinyl)-N-propylcinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-8-(4-methoxy-3-pyridinyl)-N-propylcinnoline-3-carboxamide?
The canonical SMILES for 4-amino-8-(4-methoxy-3-pyridinyl)-N-propylcinnoline-3-carboxamide is CCCNC(=O)c1nnc2c(-c3cnccc3OC)cccc2c1N.
What is the InChIKey of 4-amino-8-(4-methoxy-3-pyridinyl)-N-propylcinnoline-3-carboxamide?
The InChIKey is VHGIDFXNMYWNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-3-8-21-18(24)17-15(19)12-6-4-5-11(16(12)22-23-17)13-10-20-9-7-14(13)25-2/h4-7,9-10H,3,8H2,1-2H3,(H2,19,22)(H,21,24).
What are the key properties of 4-amino-8-(4-methoxy-3-pyridinyl)-N-propylcinnoline-3-carboxamide?
4-amino-8-(4-methoxy-3-pyridinyl)-N-propylcinnoline-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-(4-methoxy-3-pyridinyl)-N-propylcinnoline-3-carboxamide is sourced from PubChem (CID 23630065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).