4-amino-8-(3-cyanophenyl)-N-propylcinnoline-3-carboxamide

C19H17N5O — CID 23630140

IUPAC4-amino-8-(3-cyanophenyl)-N-propylcinnoline-3-carboxamide
SMILESCCCNC(=O)c1nnc2c(-c3cccc(C#N)c3)cccc2c1N
InChIInChI=1S/C19H17N5O/c1-2-9-22-19(25)18-16(21)15-8-4-7-14(17(15)23-24-18)13-6-3-5-12(10-13)11-20/h3-8,10H,2,9H2,1H3,(H2,21,23)(H,22,25)
InChIKeyCYIACUSKYQIBPS-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.89
Rot. Bonds4

About 4-amino-8-(3-cyanophenyl)-N-propylcinnoline-3-carboxamide

4-amino-8-(3-cyanophenyl)-N-propylcinnoline-3-carboxamide (PubChem CID 23630140) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 4-amino-8-(3-cyanophenyl)-N-propylcinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-8-(3-cyanophenyl)-N-propylcinnoline-3-carboxamide
PubChem CID23630140
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name4-amino-8-(3-cyanophenyl)-N-propylcinnoline-3-carboxamide
SMILESCCCNC(=O)c1nnc2c(-c3cccc(C#N)c3)cccc2c1N
InChIInChI=1S/C19H17N5O/c1-2-9-22-19(25)18-16(21)15-8-4-7-14(17(15)23-24-18)13-6-3-5-12(10-13)11-20/h3-8,10H,2,9H2,1H3,(H2,21,23)(H,22,25)
InChIKeyCYIACUSKYQIBPS-UHFFFAOYSA-N
XLogP2.89
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-cyanophenyl)-N-propylbenzamide
CID 56707495
4-amino-8-bromo-N-propylcinnoline-3-carboxamide
CID 68792370
4-amino-8-bromo-N-propylcinnoline-3-carboxamide
CID 14012326
4-amino-N-propyl-8-pyrazin-2-ylcinnoline-3-carboxamide
CID 25132066
4-amino-N-propyl-8-[2-(trifluoromethyl)phenyl]cinnoline-3-carboxamide
CID 23630142
4-amino-8-(2-formyl-6-methoxyphenyl)-N-propylcinnoline-3-carboxamide
CID 59791593
4-amino-8-(2,3-dimethylphenyl)-7-fluoro-N-propylcinnoline-3-carboxamide
CID 53240599
5-[2-(3-cyanophenyl)phenyl]-2H-triazole-4-carboxamide
CID 169402878
4-amino-7-fluoro-8-(1H-indol-3-yl)-N-propylcinnoline-3-carboxamide
CID 69327675
4-amino-6-chloro-N-propylcinnoline-3-carboxamide
CID 14012335
4-amino-7-fluoro-8-(4-fluoro-3-methoxyphenyl)-N-propylcinnoline-3-carboxamide
CID 174558161
N-[(3-cyanophenyl)methyl]butanamide
CID 47161651

Frequently Asked Questions

What is the IUPAC name of 4-amino-8-(3-cyanophenyl)-N-propylcinnoline-3-carboxamide?
The IUPAC name of 4-amino-8-(3-cyanophenyl)-N-propylcinnoline-3-carboxamide (CID 23630140) is 4-amino-8-(3-cyanophenyl)-N-propylcinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-8-(3-cyanophenyl)-N-propylcinnoline-3-carboxamide?
The canonical SMILES for 4-amino-8-(3-cyanophenyl)-N-propylcinnoline-3-carboxamide is CCCNC(=O)c1nnc2c(-c3cccc(C#N)c3)cccc2c1N.
What is the InChIKey of 4-amino-8-(3-cyanophenyl)-N-propylcinnoline-3-carboxamide?
The InChIKey is CYIACUSKYQIBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-2-9-22-19(25)18-16(21)15-8-4-7-14(17(15)23-24-18)13-6-3-5-12(10-13)11-20/h3-8,10H,2,9H2,1H3,(H2,21,23)(H,22,25).
What are the key properties of 4-amino-8-(3-cyanophenyl)-N-propylcinnoline-3-carboxamide?
4-amino-8-(3-cyanophenyl)-N-propylcinnoline-3-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-(3-cyanophenyl)-N-propylcinnoline-3-carboxamide is sourced from PubChem (CID 23630140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).