2-(2-acetamido-4-pyridinyl)-3-anilino-N-methyl-4-oxo-N-propyl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-carboxamide

C25H28N6O3 — CID 129246434

IUPAC2-(2-acetamido-4-pyridinyl)-3-anilino-N-methyl-4-oxo-N-propyl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-carboxamide
SMILESCCCN(C)C(=O)N1CC(=O)c2c([nH]c(-c3ccnc(NC(C)=O)c3)c2Nc2ccccc2)C1
InChIInChI=1S/C25H28N6O3/c1-4-12-30(3)25(34)31-14-19-22(20(33)15-31)24(28-18-8-6-5-7-9-18)23(29-19)17-10-11-26-21(13-17)27-16(2)32/h5-11,13,28-29H,4,12,14-15H2,1-3H3,(H,26,27,32)
InChIKeyMDCKPSHGHBMVAF-UHFFFAOYSA-N
MW460.54 g/mol
LogP4.24
Rot. Bonds6

About 2-(2-acetamido-4-pyridinyl)-3-anilino-N-methyl-4-oxo-N-propyl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-carboxamide

2-(2-acetamido-4-pyridinyl)-3-anilino-N-methyl-4-oxo-N-propyl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-carboxamide (PubChem CID 129246434) has the molecular formula C25H28N6O3 and a molecular weight of 460.54 g/mol. Its IUPAC name is 2-(2-acetamido-4-pyridinyl)-3-anilino-N-methyl-4-oxo-N-propyl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-(2-acetamido-4-pyridinyl)-3-anilino-N-methyl-4-oxo-N-propyl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-carboxamide
PubChem CID129246434
Molecular FormulaC25H28N6O3
Molecular Weight460.54 g/mol
Exact Mass460.22
IUPAC Name2-(2-acetamido-4-pyridinyl)-3-anilino-N-methyl-4-oxo-N-propyl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-carboxamide
SMILESCCCN(C)C(=O)N1CC(=O)c2c([nH]c(-c3ccnc(NC(C)=O)c3)c2Nc2ccccc2)C1
InChIInChI=1S/C25H28N6O3/c1-4-12-30(3)25(34)31-14-19-22(20(33)15-31)24(28-18-8-6-5-7-9-18)23(29-19)17-10-11-26-21(13-17)27-16(2)32/h5-11,13,28-29H,4,12,14-15H2,1-3H3,(H,26,27,32)
InChIKeyMDCKPSHGHBMVAF-UHFFFAOYSA-N
XLogP4.24
TPSA110.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamido-4-pyridinyl)-3-anilino-N-methyl-4-oxo-N-propyl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-carboxamide?
The IUPAC name of 2-(2-acetamido-4-pyridinyl)-3-anilino-N-methyl-4-oxo-N-propyl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-carboxamide (CID 129246434) is 2-(2-acetamido-4-pyridinyl)-3-anilino-N-methyl-4-oxo-N-propyl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-carboxamide.
What is the SMILES notation for 2-(2-acetamido-4-pyridinyl)-3-anilino-N-methyl-4-oxo-N-propyl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-carboxamide?
The canonical SMILES for 2-(2-acetamido-4-pyridinyl)-3-anilino-N-methyl-4-oxo-N-propyl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-carboxamide is CCCN(C)C(=O)N1CC(=O)c2c([nH]c(-c3ccnc(NC(C)=O)c3)c2Nc2ccccc2)C1.
What is the InChIKey of 2-(2-acetamido-4-pyridinyl)-3-anilino-N-methyl-4-oxo-N-propyl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-carboxamide?
The InChIKey is MDCKPSHGHBMVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O3/c1-4-12-30(3)25(34)31-14-19-22(20(33)15-31)24(28-18-8-6-5-7-9-18)23(29-19)17-10-11-26-21(13-17)27-16(2)32/h5-11,13,28-29H,4,12,14-15H2,1-3H3,(H,26,27,32).
What are the key properties of 2-(2-acetamido-4-pyridinyl)-3-anilino-N-methyl-4-oxo-N-propyl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-carboxamide?
2-(2-acetamido-4-pyridinyl)-3-anilino-N-methyl-4-oxo-N-propyl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-carboxamide has a molecular weight of 460.54 g/mol, XLogP of 4.24, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamido-4-pyridinyl)-3-anilino-N-methyl-4-oxo-N-propyl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridine-6-carboxamide is sourced from PubChem (CID 129246434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).