N-(1-cyclopropyl-3,3-dimethyl-2-oxopyrrolo[3,2-c]pyridin-6-yl)pyridine-4-carboxamide;2-methyl-N-(1,3,3-trimethyl-2-oxopyrrolo[2,3-b]pyridin-6-yl)pyridine-4-carboxamide

C35H36N8O4 — CID 90047569

IUPACN-(1-cyclopropyl-3,3-dimethyl-2-oxopyrrolo[3,2-c]pyridin-6-yl)pyridine-4-carboxamide;2-methyl-N-(1,3,3-trimethyl-2-oxopyrrolo[2,3-b]pyridin-6-yl)pyridine-4-carboxamide
SMILESCC1(C)C(=O)N(C2CC2)c2cc(NC(=O)c3ccncc3)ncc21.Cc1cc(C(=O)Nc2ccc3c(n2)N(C)C(=O)C3(C)C)ccn1
InChIInChI=1S/C18H18N4O2.C17H18N4O2/c1-18(2)13-10-20-15(21-16(23)11-5-7-19-8-6-11)9-14(13)22(17(18)24)12-3-4-12;1-10-9-11(7-8-18-10)15(22)20-13-6-5-12-14(19-13)21(4)16(23)17(12,2)3/h5-10,12H,3-4H2,1-2H3,(H,20,21,23);5-9H,1-4H3,(H,19,20,22)
InChIKeyMZOLLWSGDQLMMM-UHFFFAOYSA-N
MW632.73 g/mol
LogP4.81
Rot. Bonds5

About N-(1-cyclopropyl-3,3-dimethyl-2-oxopyrrolo[3,2-c]pyridin-6-yl)pyridine-4-carboxamide;2-methyl-N-(1,3,3-trimethyl-2-oxopyrrolo[2,3-b]pyridin-6-yl)pyridine-4-carboxamide

N-(1-cyclopropyl-3,3-dimethyl-2-oxopyrrolo[3,2-c]pyridin-6-yl)pyridine-4-carboxamide;2-methyl-N-(1,3,3-trimethyl-2-oxopyrrolo[2,3-b]pyridin-6-yl)pyridine-4-carboxamide (PubChem CID 90047569) has the molecular formula C35H36N8O4 and a molecular weight of 632.73 g/mol. Its IUPAC name is N-(1-cyclopropyl-3,3-dimethyl-2-oxopyrrolo[3,2-c]pyridin-6-yl)pyridine-4-carboxamide;2-methyl-N-(1,3,3-trimethyl-2-oxopyrrolo[2,3-b]pyridin-6-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropyl-3,3-dimethyl-2-oxopyrrolo[3,2-c]pyridin-6-yl)pyridine-4-carboxamide;2-methyl-N-(1,3,3-trimethyl-2-oxopyrrolo[2,3-b]pyridin-6-yl)pyridine-4-carboxamide
PubChem CID90047569
Molecular FormulaC35H36N8O4
Molecular Weight632.73 g/mol
Exact Mass632.29
IUPAC NameN-(1-cyclopropyl-3,3-dimethyl-2-oxopyrrolo[3,2-c]pyridin-6-yl)pyridine-4-carboxamide;2-methyl-N-(1,3,3-trimethyl-2-oxopyrrolo[2,3-b]pyridin-6-yl)pyridine-4-carboxamide
SMILESCC1(C)C(=O)N(C2CC2)c2cc(NC(=O)c3ccncc3)ncc21.Cc1cc(C(=O)Nc2ccc3c(n2)N(C)C(=O)C3(C)C)ccn1
InChIInChI=1S/C18H18N4O2.C17H18N4O2/c1-18(2)13-10-20-15(21-16(23)11-5-7-19-8-6-11)9-14(13)22(17(18)24)12-3-4-12;1-10-9-11(7-8-18-10)15(22)20-13-6-5-12-14(19-13)21(4)16(23)17(12,2)3/h5-10,12H,3-4H2,1-2H3,(H,20,21,23);5-9H,1-4H3,(H,19,20,22)
InChIKeyMZOLLWSGDQLMMM-UHFFFAOYSA-N
XLogP4.81
TPSA150.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500632.73
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(1-cyclopropyl-3,3-dimethyl-2-oxopyrrolo[3,2-c]pyridin-6-yl)pyridine-4-carboxamide;2-methyl-N-(1,3,3-trimethyl-2-oxopyrrolo[2,3-b]pyridin-6-yl)pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-3,3-dimethyl-2-oxopyrrolo[3,2-c]pyridin-6-yl)pyridine-4-carboxamide;2-methyl-N-(1,3,3-trimethyl-2-oxopyrrolo[2,3-b]pyridin-6-yl)pyridine-4-carboxamide?
The IUPAC name of N-(1-cyclopropyl-3,3-dimethyl-2-oxopyrrolo[3,2-c]pyridin-6-yl)pyridine-4-carboxamide;2-methyl-N-(1,3,3-trimethyl-2-oxopyrrolo[2,3-b]pyridin-6-yl)pyridine-4-carboxamide (CID 90047569) is N-(1-cyclopropyl-3,3-dimethyl-2-oxopyrrolo[3,2-c]pyridin-6-yl)pyridine-4-carboxamide;2-methyl-N-(1,3,3-trimethyl-2-oxopyrrolo[2,3-b]pyridin-6-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(1-cyclopropyl-3,3-dimethyl-2-oxopyrrolo[3,2-c]pyridin-6-yl)pyridine-4-carboxamide;2-methyl-N-(1,3,3-trimethyl-2-oxopyrrolo[2,3-b]pyridin-6-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(1-cyclopropyl-3,3-dimethyl-2-oxopyrrolo[3,2-c]pyridin-6-yl)pyridine-4-carboxamide;2-methyl-N-(1,3,3-trimethyl-2-oxopyrrolo[2,3-b]pyridin-6-yl)pyridine-4-carboxamide is CC1(C)C(=O)N(C2CC2)c2cc(NC(=O)c3ccncc3)ncc21.Cc1cc(C(=O)Nc2ccc3c(n2)N(C)C(=O)C3(C)C)ccn1.
What is the InChIKey of N-(1-cyclopropyl-3,3-dimethyl-2-oxopyrrolo[3,2-c]pyridin-6-yl)pyridine-4-carboxamide;2-methyl-N-(1,3,3-trimethyl-2-oxopyrrolo[2,3-b]pyridin-6-yl)pyridine-4-carboxamide?
The InChIKey is MZOLLWSGDQLMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2.C17H18N4O2/c1-18(2)13-10-20-15(21-16(23)11-5-7-19-8-6-11)9-14(13)22(17(18)24)12-3-4-12;1-10-9-11(7-8-18-10)15(22)20-13-6-5-12-14(19-13)21(4)16(23)17(12,2)3/h5-10,12H,3-4H2,1-2H3,(H,20,21,23);5-9H,1-4H3,(H,19,20,22).
What are the key properties of N-(1-cyclopropyl-3,3-dimethyl-2-oxopyrrolo[3,2-c]pyridin-6-yl)pyridine-4-carboxamide;2-methyl-N-(1,3,3-trimethyl-2-oxopyrrolo[2,3-b]pyridin-6-yl)pyridine-4-carboxamide?
N-(1-cyclopropyl-3,3-dimethyl-2-oxopyrrolo[3,2-c]pyridin-6-yl)pyridine-4-carboxamide;2-methyl-N-(1,3,3-trimethyl-2-oxopyrrolo[2,3-b]pyridin-6-yl)pyridine-4-carboxamide has a molecular weight of 632.73 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-3,3-dimethyl-2-oxopyrrolo[3,2-c]pyridin-6-yl)pyridine-4-carboxamide;2-methyl-N-(1,3,3-trimethyl-2-oxopyrrolo[2,3-b]pyridin-6-yl)pyridine-4-carboxamide is sourced from PubChem (CID 90047569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).