N-[(2-ethyl-6-methyl-4-pyridinyl)methyl]-5-[(1R)-1-[(3R)-3-methyl-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyridine-2-carboxamide

C25H27N5O2 — CID 126566726

IUPACN-[(2-ethyl-6-methyl-4-pyridinyl)methyl]-5-[(1R)-1-[(3R)-3-methyl-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyridine-2-carboxamide
SMILESCCc1cc(CNC(=O)c2ccc([C@@H](C)[C@@]3(C)C(=O)Nc4ncccc43)cn2)cc(C)n1
InChIInChI=1S/C25H27N5O2/c1-5-19-12-17(11-15(2)29-19)13-28-23(31)21-9-8-18(14-27-21)16(3)25(4)20-7-6-10-26-22(20)30-24(25)32/h6-12,14,16H,5,13H2,1-4H3,(H,28,31)(H,26,30,32)/t16-,25-/m1/s1
InChIKeyKOWOLMYPGCUZKO-PUAOIOHZSA-N
MW429.52 g/mol
LogP3.69
Rot. Bonds6

About N-[(2-ethyl-6-methyl-4-pyridinyl)methyl]-5-[(1R)-1-[(3R)-3-methyl-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyridine-2-carboxamide

N-[(2-ethyl-6-methyl-4-pyridinyl)methyl]-5-[(1R)-1-[(3R)-3-methyl-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyridine-2-carboxamide (PubChem CID 126566726) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[(2-ethyl-6-methyl-4-pyridinyl)methyl]-5-[(1R)-1-[(3R)-3-methyl-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-ethyl-6-methyl-4-pyridinyl)methyl]-5-[(1R)-1-[(3R)-3-methyl-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyridine-2-carboxamide
PubChem CID126566726
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC NameN-[(2-ethyl-6-methyl-4-pyridinyl)methyl]-5-[(1R)-1-[(3R)-3-methyl-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyridine-2-carboxamide
SMILESCCc1cc(CNC(=O)c2ccc([C@@H](C)[C@@]3(C)C(=O)Nc4ncccc43)cn2)cc(C)n1
InChIInChI=1S/C25H27N5O2/c1-5-19-12-17(11-15(2)29-19)13-28-23(31)21-9-8-18(14-27-21)16(3)25(4)20-7-6-10-26-22(20)30-24(25)32/h6-12,14,16H,5,13H2,1-4H3,(H,28,31)(H,26,30,32)/t16-,25-/m1/s1
InChIKeyKOWOLMYPGCUZKO-PUAOIOHZSA-N
XLogP3.69
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-6-methyl-4-pyridinyl)methyl]-5-[(1R)-1-[(3R)-3-methyl-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyridine-2-carboxamide?
The IUPAC name of N-[(2-ethyl-6-methyl-4-pyridinyl)methyl]-5-[(1R)-1-[(3R)-3-methyl-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyridine-2-carboxamide (CID 126566726) is N-[(2-ethyl-6-methyl-4-pyridinyl)methyl]-5-[(1R)-1-[(3R)-3-methyl-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2-ethyl-6-methyl-4-pyridinyl)methyl]-5-[(1R)-1-[(3R)-3-methyl-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(2-ethyl-6-methyl-4-pyridinyl)methyl]-5-[(1R)-1-[(3R)-3-methyl-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyridine-2-carboxamide is CCc1cc(CNC(=O)c2ccc([C@@H](C)[C@@]3(C)C(=O)Nc4ncccc43)cn2)cc(C)n1.
What is the InChIKey of N-[(2-ethyl-6-methyl-4-pyridinyl)methyl]-5-[(1R)-1-[(3R)-3-methyl-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyridine-2-carboxamide?
The InChIKey is KOWOLMYPGCUZKO-PUAOIOHZSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-5-19-12-17(11-15(2)29-19)13-28-23(31)21-9-8-18(14-27-21)16(3)25(4)20-7-6-10-26-22(20)30-24(25)32/h6-12,14,16H,5,13H2,1-4H3,(H,28,31)(H,26,30,32)/t16-,25-/m1/s1.
What are the key properties of N-[(2-ethyl-6-methyl-4-pyridinyl)methyl]-5-[(1R)-1-[(3R)-3-methyl-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyridine-2-carboxamide?
N-[(2-ethyl-6-methyl-4-pyridinyl)methyl]-5-[(1R)-1-[(3R)-3-methyl-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyridine-2-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-6-methyl-4-pyridinyl)methyl]-5-[(1R)-1-[(3R)-3-methyl-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 126566726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).