5-[4-(dimethylamino)anilino]-3H-pyrrolo[2,3-c][2,7]naphthyridine-2-carboxylic acid

C19H17N5O2 — CID 170683356

IUPAC5-[4-(dimethylamino)anilino]-3H-pyrrolo[2,3-c][2,7]naphthyridine-2-carboxylic acid
SMILESCN(C)c1ccc(Nc2nc3[nH]c(C(=O)O)cc3c3ccncc23)cc1
InChIInChI=1S/C19H17N5O2/c1-24(2)12-5-3-11(4-6-12)21-18-15-10-20-8-7-13(15)14-9-16(19(25)26)22-17(14)23-18/h3-10H,1-2H3,(H,25,26)(H2,21,22,23)
InChIKeyKHHOYTSDOXAYJC-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.62
Rot. Bonds4

About 5-[4-(dimethylamino)anilino]-3H-pyrrolo[2,3-c][2,7]naphthyridine-2-carboxylic acid

5-[4-(dimethylamino)anilino]-3H-pyrrolo[2,3-c][2,7]naphthyridine-2-carboxylic acid (PubChem CID 170683356) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 5-[4-(dimethylamino)anilino]-3H-pyrrolo[2,3-c][2,7]naphthyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-(dimethylamino)anilino]-3H-pyrrolo[2,3-c][2,7]naphthyridine-2-carboxylic acid
PubChem CID170683356
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name5-[4-(dimethylamino)anilino]-3H-pyrrolo[2,3-c][2,7]naphthyridine-2-carboxylic acid
SMILESCN(C)c1ccc(Nc2nc3[nH]c(C(=O)O)cc3c3ccncc23)cc1
InChIInChI=1S/C19H17N5O2/c1-24(2)12-5-3-11(4-6-12)21-18-15-10-20-8-7-13(15)14-9-16(19(25)26)22-17(14)23-18/h3-10H,1-2H3,(H,25,26)(H2,21,22,23)
InChIKeyKHHOYTSDOXAYJC-UHFFFAOYSA-N
XLogP3.62
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-(3-propan-2-ylanilino)-3H-pyrrolo[2,3-c][2,7]naphthyridine-2-carboxylic acid
CID 170683343
6-[3-(dimethylamino)anilino]-7H-pyrrolo[2,3-c][1,6]naphthyridine-8-carboxylic acid
CID 170687497
4-N,4-N-dimethyl-1-N-(4,8,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-9-yl)benzene-1,4-diamine
CID 171440251
5-[3-(dimethylamino)anilino]-2H-pyrazolo[4,3-c][2,6]naphthyridine-3-carboxylic acid
CID 171470619
5-(3-methoxyanilino)-1H-pyrrolo[3,2-c][2,6]naphthyridine-2-carboxylic acid
CID 171406059
5-(4-hydroxyanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 136602231
4-[3-(dimethylamino)anilino]-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid
CID 171740070
6-(3-propan-2-ylanilino)-7H-pyrrolo[2,3-c][1,6]naphthyridine-8-carboxylic acid
CID 170687498
5-amino-6-[4-(dimethylamino)anilino]pyridine-2-carboxylic acid
CID 114405561
4-[4-(dimethylsulfamoyl)anilino]-1H-pyrrolo[3,2-c]quinoline-2,7-dicarboxylic acid
CID 171406098
4-[[4-(4-carboxyanilino)-6-[4-(dimethylamino)phenyl]-1,3,5-triazin-2-yl]amino]benzoic acid
CID 90753530
5-(4-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid;2,2,2-trifluoroacetic acid
CID 50942445

Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)anilino]-3H-pyrrolo[2,3-c][2,7]naphthyridine-2-carboxylic acid?
The IUPAC name of 5-[4-(dimethylamino)anilino]-3H-pyrrolo[2,3-c][2,7]naphthyridine-2-carboxylic acid (CID 170683356) is 5-[4-(dimethylamino)anilino]-3H-pyrrolo[2,3-c][2,7]naphthyridine-2-carboxylic acid.
What is the SMILES notation for 5-[4-(dimethylamino)anilino]-3H-pyrrolo[2,3-c][2,7]naphthyridine-2-carboxylic acid?
The canonical SMILES for 5-[4-(dimethylamino)anilino]-3H-pyrrolo[2,3-c][2,7]naphthyridine-2-carboxylic acid is CN(C)c1ccc(Nc2nc3[nH]c(C(=O)O)cc3c3ccncc23)cc1.
What is the InChIKey of 5-[4-(dimethylamino)anilino]-3H-pyrrolo[2,3-c][2,7]naphthyridine-2-carboxylic acid?
The InChIKey is KHHOYTSDOXAYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-24(2)12-5-3-11(4-6-12)21-18-15-10-20-8-7-13(15)14-9-16(19(25)26)22-17(14)23-18/h3-10H,1-2H3,(H,25,26)(H2,21,22,23).
What are the key properties of 5-[4-(dimethylamino)anilino]-3H-pyrrolo[2,3-c][2,7]naphthyridine-2-carboxylic acid?
5-[4-(dimethylamino)anilino]-3H-pyrrolo[2,3-c][2,7]naphthyridine-2-carboxylic acid has a molecular weight of 347.38 g/mol, XLogP of 3.62, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)anilino]-3H-pyrrolo[2,3-c][2,7]naphthyridine-2-carboxylic acid is sourced from PubChem (CID 170683356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).