6-[3-(dimethylamino)anilino]-7H-pyrrolo[2,3-c][1,6]naphthyridine-8-carboxylic acid

C19H17N5O2 — CID 170687497

IUPAC6-[3-(dimethylamino)anilino]-7H-pyrrolo[2,3-c][1,6]naphthyridine-8-carboxylic acid
SMILESCN(C)c1cccc(Nc2nc3ccncc3c3cc(C(=O)O)[nH]c23)c1
InChIInChI=1S/C19H17N5O2/c1-24(2)12-5-3-4-11(8-12)21-18-17-13(9-16(22-17)19(25)26)14-10-20-7-6-15(14)23-18/h3-10,22H,1-2H3,(H,21,23)(H,25,26)
InChIKeyFDGMHCGRPZDBOJ-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.62
Rot. Bonds4

About 6-[3-(dimethylamino)anilino]-7H-pyrrolo[2,3-c][1,6]naphthyridine-8-carboxylic acid

6-[3-(dimethylamino)anilino]-7H-pyrrolo[2,3-c][1,6]naphthyridine-8-carboxylic acid (PubChem CID 170687497) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 6-[3-(dimethylamino)anilino]-7H-pyrrolo[2,3-c][1,6]naphthyridine-8-carboxylic acid.

Molecular Properties

Compound Name6-[3-(dimethylamino)anilino]-7H-pyrrolo[2,3-c][1,6]naphthyridine-8-carboxylic acid
PubChem CID170687497
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name6-[3-(dimethylamino)anilino]-7H-pyrrolo[2,3-c][1,6]naphthyridine-8-carboxylic acid
SMILESCN(C)c1cccc(Nc2nc3ccncc3c3cc(C(=O)O)[nH]c23)c1
InChIInChI=1S/C19H17N5O2/c1-24(2)12-5-3-4-11(8-12)21-18-17-13(9-16(22-17)19(25)26)14-10-20-7-6-15(14)23-18/h3-10,22H,1-2H3,(H,21,23)(H,25,26)
InChIKeyFDGMHCGRPZDBOJ-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

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Related Compounds

6-(3-propan-2-ylanilino)-7H-pyrrolo[2,3-c][1,6]naphthyridine-8-carboxylic acid
CID 170687498
4-[3-(dimethylamino)anilino]-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid
CID 171740070
5-(3-methoxyanilino)-1H-pyrrolo[3,2-c][2,6]naphthyridine-2-carboxylic acid
CID 171406059
5-[3-(dimethylamino)anilino]-2H-pyrazolo[4,3-c][2,6]naphthyridine-3-carboxylic acid
CID 171470619
5-[4-(dimethylamino)anilino]-3H-pyrrolo[2,3-c][2,7]naphthyridine-2-carboxylic acid
CID 170683356
5-(3-propan-2-ylanilino)-3H-pyrrolo[2,3-c][2,7]naphthyridine-2-carboxylic acid
CID 170683343
4-[3-(dimethylamino)anilino]quinazoline-2-carboxamide
CID 173217946
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
4-[(2-methyl-4-pyridinyl)amino]-1H-pyrrolo[3,2-c]quinoline-2-carboxylic acid
CID 171406094
3-N,3-N-dimethyl-1-N-pyridin-3-ylbenzene-1,3-diamine
CID 82537509
5-chloro-6-[3-(dimethylamino)anilino]pyridine-3-carboxylic acid
CID 115378021
4-(3-methylanilino)-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid
CID 171740069

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)anilino]-7H-pyrrolo[2,3-c][1,6]naphthyridine-8-carboxylic acid?
The IUPAC name of 6-[3-(dimethylamino)anilino]-7H-pyrrolo[2,3-c][1,6]naphthyridine-8-carboxylic acid (CID 170687497) is 6-[3-(dimethylamino)anilino]-7H-pyrrolo[2,3-c][1,6]naphthyridine-8-carboxylic acid.
What is the SMILES notation for 6-[3-(dimethylamino)anilino]-7H-pyrrolo[2,3-c][1,6]naphthyridine-8-carboxylic acid?
The canonical SMILES for 6-[3-(dimethylamino)anilino]-7H-pyrrolo[2,3-c][1,6]naphthyridine-8-carboxylic acid is CN(C)c1cccc(Nc2nc3ccncc3c3cc(C(=O)O)[nH]c23)c1.
What is the InChIKey of 6-[3-(dimethylamino)anilino]-7H-pyrrolo[2,3-c][1,6]naphthyridine-8-carboxylic acid?
The InChIKey is FDGMHCGRPZDBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-24(2)12-5-3-4-11(8-12)21-18-17-13(9-16(22-17)19(25)26)14-10-20-7-6-15(14)23-18/h3-10,22H,1-2H3,(H,21,23)(H,25,26).
What are the key properties of 6-[3-(dimethylamino)anilino]-7H-pyrrolo[2,3-c][1,6]naphthyridine-8-carboxylic acid?
6-[3-(dimethylamino)anilino]-7H-pyrrolo[2,3-c][1,6]naphthyridine-8-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 6-[3-(dimethylamino)anilino]-7H-pyrrolo[2,3-c][1,6]naphthyridine-8-carboxylic acid is sourced from PubChem (CID 170687497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).