N-(6,7-dihydronaphthalen-1-yl)-1-[3-methyl-2-[[2-(methylamino)acetyl]amino]butanoyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxamide

C26H31N5O3 — CID 144603298

IUPACN-(6,7-dihydronaphthalen-1-yl)-1-[3-methyl-2-[[2-(methylamino)acetyl]amino]butanoyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCNCC(=O)NC(C(=O)N1c2ncccc2CC1C(=O)Nc1cccc2c1=CCCC=2)C(C)C
InChIInChI=1S/C26H31N5O3/c1-16(2)23(30-22(32)15-27-3)26(34)31-21(14-18-10-7-13-28-24(18)31)25(33)29-20-12-6-9-17-8-4-5-11-19(17)20/h6-13,16,21,23,27H,4-5,14-15H2,1-3H3,(H,29,33)(H,30,32)
InChIKeyHYSNJGQEQVZIQV-UHFFFAOYSA-N
MW461.57 g/mol
LogP0.69
Rot. Bonds7

About N-(6,7-dihydronaphthalen-1-yl)-1-[3-methyl-2-[[2-(methylamino)acetyl]amino]butanoyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxamide

N-(6,7-dihydronaphthalen-1-yl)-1-[3-methyl-2-[[2-(methylamino)acetyl]amino]butanoyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 144603298) has the molecular formula C26H31N5O3 and a molecular weight of 461.57 g/mol. Its IUPAC name is N-(6,7-dihydronaphthalen-1-yl)-1-[3-methyl-2-[[2-(methylamino)acetyl]amino]butanoyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(6,7-dihydronaphthalen-1-yl)-1-[3-methyl-2-[[2-(methylamino)acetyl]amino]butanoyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID144603298
Molecular FormulaC26H31N5O3
Molecular Weight461.57 g/mol
Exact Mass461.24
IUPAC NameN-(6,7-dihydronaphthalen-1-yl)-1-[3-methyl-2-[[2-(methylamino)acetyl]amino]butanoyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCNCC(=O)NC(C(=O)N1c2ncccc2CC1C(=O)Nc1cccc2c1=CCCC=2)C(C)C
InChIInChI=1S/C26H31N5O3/c1-16(2)23(30-22(32)15-27-3)26(34)31-21(14-18-10-7-13-28-24(18)31)25(33)29-20-12-6-9-17-8-4-5-11-19(17)20/h6-13,16,21,23,27H,4-5,14-15H2,1-3H3,(H,29,33)(H,30,32)
InChIKeyHYSNJGQEQVZIQV-UHFFFAOYSA-N
XLogP0.69
TPSA103.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(6,7-dihydronaphthalen-1-yl)-1-[3-methyl-2-[[2-(methylamino)acetyl]amino]butanoyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydronaphthalen-1-yl)-1-[3-methyl-2-[[2-(methylamino)acetyl]amino]butanoyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-(6,7-dihydronaphthalen-1-yl)-1-[3-methyl-2-[[2-(methylamino)acetyl]amino]butanoyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxamide (CID 144603298) is N-(6,7-dihydronaphthalen-1-yl)-1-[3-methyl-2-[[2-(methylamino)acetyl]amino]butanoyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(6,7-dihydronaphthalen-1-yl)-1-[3-methyl-2-[[2-(methylamino)acetyl]amino]butanoyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-(6,7-dihydronaphthalen-1-yl)-1-[3-methyl-2-[[2-(methylamino)acetyl]amino]butanoyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxamide is CNCC(=O)NC(C(=O)N1c2ncccc2CC1C(=O)Nc1cccc2c1=CCCC=2)C(C)C.
What is the InChIKey of N-(6,7-dihydronaphthalen-1-yl)-1-[3-methyl-2-[[2-(methylamino)acetyl]amino]butanoyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is HYSNJGQEQVZIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3/c1-16(2)23(30-22(32)15-27-3)26(34)31-21(14-18-10-7-13-28-24(18)31)25(33)29-20-12-6-9-17-8-4-5-11-19(17)20/h6-13,16,21,23,27H,4-5,14-15H2,1-3H3,(H,29,33)(H,30,32).
What are the key properties of N-(6,7-dihydronaphthalen-1-yl)-1-[3-methyl-2-[[2-(methylamino)acetyl]amino]butanoyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxamide?
N-(6,7-dihydronaphthalen-1-yl)-1-[3-methyl-2-[[2-(methylamino)acetyl]amino]butanoyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 461.57 g/mol, XLogP of 0.69, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydronaphthalen-1-yl)-1-[3-methyl-2-[[2-(methylamino)acetyl]amino]butanoyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 144603298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).