(3R)-N-methyl-2-[2-[[(3-methyl-2-oxo-1H-quinoxalin-6-yl)amino]methyl]cyclopenta-1,3-diene-1-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide

C30H29N5O3 — CID 158614097

IUPAC(3R)-N-methyl-2-[2-[[(3-methyl-2-oxo-1H-quinoxalin-6-yl)amino]methyl]cyclopenta-1,3-diene-1-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide
SMILESCNC(=O)[C@H]1CC2=C(Cc3ccccc32)CN1C(=O)C1=C(CNc2ccc3[nH]c(=O)c(C)nc3c2)C=CC1
InChIInChI=1S/C30H29N5O3/c1-17-28(36)34-25-11-10-21(13-26(25)33-17)32-15-19-7-5-9-23(19)30(38)35-16-20-12-18-6-3-4-8-22(18)24(20)14-27(35)29(37)31-2/h3-8,10-11,13,27,32H,9,12,14-16H2,1-2H3,(H,31,37)(H,34,36)/t27-/m1/s1
InChIKeyMYCJUJDOYILDBH-HHHXNRCGSA-N
MW507.59 g/mol
LogP3.26
Rot. Bonds5

About (3R)-N-methyl-2-[2-[[(3-methyl-2-oxo-1H-quinoxalin-6-yl)amino]methyl]cyclopenta-1,3-diene-1-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide

(3R)-N-methyl-2-[2-[[(3-methyl-2-oxo-1H-quinoxalin-6-yl)amino]methyl]cyclopenta-1,3-diene-1-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide (PubChem CID 158614097) has the molecular formula C30H29N5O3 and a molecular weight of 507.59 g/mol. Its IUPAC name is (3R)-N-methyl-2-[2-[[(3-methyl-2-oxo-1H-quinoxalin-6-yl)amino]methyl]cyclopenta-1,3-diene-1-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-methyl-2-[2-[[(3-methyl-2-oxo-1H-quinoxalin-6-yl)amino]methyl]cyclopenta-1,3-diene-1-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide
PubChem CID158614097
Molecular FormulaC30H29N5O3
Molecular Weight507.59 g/mol
Exact Mass507.23
IUPAC Name(3R)-N-methyl-2-[2-[[(3-methyl-2-oxo-1H-quinoxalin-6-yl)amino]methyl]cyclopenta-1,3-diene-1-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide
SMILESCNC(=O)[C@H]1CC2=C(Cc3ccccc32)CN1C(=O)C1=C(CNc2ccc3[nH]c(=O)c(C)nc3c2)C=CC1
InChIInChI=1S/C30H29N5O3/c1-17-28(36)34-25-11-10-21(13-26(25)33-17)32-15-19-7-5-9-23(19)30(38)35-16-20-12-18-6-3-4-8-22(18)24(20)14-27(35)29(37)31-2/h3-8,10-11,13,27,32H,9,12,14-16H2,1-2H3,(H,31,37)(H,34,36)/t27-/m1/s1
InChIKeyMYCJUJDOYILDBH-HHHXNRCGSA-N
XLogP3.26
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.59
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3R)-N-methyl-2-[2-[[(3-methyl-2-oxo-1H-quinoxalin-6-yl)amino]methyl]cyclopenta-1,3-diene-1-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-2-[2-[[(3-methyl-2-oxo-1H-quinoxalin-6-yl)amino]methyl]cyclopenta-1,3-diene-1-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide?
The IUPAC name of (3R)-N-methyl-2-[2-[[(3-methyl-2-oxo-1H-quinoxalin-6-yl)amino]methyl]cyclopenta-1,3-diene-1-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide (CID 158614097) is (3R)-N-methyl-2-[2-[[(3-methyl-2-oxo-1H-quinoxalin-6-yl)amino]methyl]cyclopenta-1,3-diene-1-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide.
What is the SMILES notation for (3R)-N-methyl-2-[2-[[(3-methyl-2-oxo-1H-quinoxalin-6-yl)amino]methyl]cyclopenta-1,3-diene-1-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide?
The canonical SMILES for (3R)-N-methyl-2-[2-[[(3-methyl-2-oxo-1H-quinoxalin-6-yl)amino]methyl]cyclopenta-1,3-diene-1-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide is CNC(=O)[C@H]1CC2=C(Cc3ccccc32)CN1C(=O)C1=C(CNc2ccc3[nH]c(=O)c(C)nc3c2)C=CC1.
What is the InChIKey of (3R)-N-methyl-2-[2-[[(3-methyl-2-oxo-1H-quinoxalin-6-yl)amino]methyl]cyclopenta-1,3-diene-1-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide?
The InChIKey is MYCJUJDOYILDBH-HHHXNRCGSA-N. The full InChI is InChI=1S/C30H29N5O3/c1-17-28(36)34-25-11-10-21(13-26(25)33-17)32-15-19-7-5-9-23(19)30(38)35-16-20-12-18-6-3-4-8-22(18)24(20)14-27(35)29(37)31-2/h3-8,10-11,13,27,32H,9,12,14-16H2,1-2H3,(H,31,37)(H,34,36)/t27-/m1/s1.
What are the key properties of (3R)-N-methyl-2-[2-[[(3-methyl-2-oxo-1H-quinoxalin-6-yl)amino]methyl]cyclopenta-1,3-diene-1-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide?
(3R)-N-methyl-2-[2-[[(3-methyl-2-oxo-1H-quinoxalin-6-yl)amino]methyl]cyclopenta-1,3-diene-1-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide has a molecular weight of 507.59 g/mol, XLogP of 3.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-2-[2-[[(3-methyl-2-oxo-1H-quinoxalin-6-yl)amino]methyl]cyclopenta-1,3-diene-1-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide is sourced from PubChem (CID 158614097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).