4-N-cyclopropyl-6-(1H-indol-3-ylmethyl)-2-N-methylpyridine-2,4-dicarboxamide

C20H20N4O2 — CID 145407052

IUPAC4-N-cyclopropyl-6-(1H-indol-3-ylmethyl)-2-N-methylpyridine-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CC2)cc(Cc2c[nH]c3ccccc23)n1
InChIInChI=1S/C20H20N4O2/c1-21-20(26)18-10-12(19(25)24-14-6-7-14)8-15(23-18)9-13-11-22-17-5-3-2-4-16(13)17/h2-5,8,10-11,14,22H,6-7,9H2,1H3,(H,21,26)(H,24,25)
InChIKeyRLTDKWHVMFWSMC-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.41
Rot. Bonds5

About 4-N-cyclopropyl-6-(1H-indol-3-ylmethyl)-2-N-methylpyridine-2,4-dicarboxamide

4-N-cyclopropyl-6-(1H-indol-3-ylmethyl)-2-N-methylpyridine-2,4-dicarboxamide (PubChem CID 145407052) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-(1H-indol-3-ylmethyl)-2-N-methylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-cyclopropyl-6-(1H-indol-3-ylmethyl)-2-N-methylpyridine-2,4-dicarboxamide
PubChem CID145407052
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name4-N-cyclopropyl-6-(1H-indol-3-ylmethyl)-2-N-methylpyridine-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CC2)cc(Cc2c[nH]c3ccccc23)n1
InChIInChI=1S/C20H20N4O2/c1-21-20(26)18-10-12(19(25)24-14-6-7-14)8-15(23-18)9-13-11-22-17-5-3-2-4-16(13)17/h2-5,8,10-11,14,22H,6-7,9H2,1H3,(H,21,26)(H,24,25)
InChIKeyRLTDKWHVMFWSMC-UHFFFAOYSA-N
XLogP2.41
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(3-azabicyclo[3.1.0]hexan-6-yl)-6-(1H-indol-4-ylmethyl)-2-N-methylpyridine-2,4-dicarboxamide
CID 155238143
N-cyclopropyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-5-carboxamide
CID 109247309
N-cyclopropyl-5-[2-(1H-indol-3-yl)ethylamino]pyridine-3-carboxamide
CID 109223605
4-N-(3-azabicyclo[3.1.0]hexan-6-yl)-6-benzyl-2-N-methylpyridine-2,4-dicarboxamide
CID 131997123
6-(1H-indol-4-ylmethyl)-2-N-methyl-4-N-(1-methylpyrazol-4-yl)pyridine-2,4-dicarboxamide
CID 151593325
N-cyclopropyl-3-[[2-(1H-indol-3-yl)acetyl]amino]propanamide
CID 79382425
6-(1H-indol-4-ylmethyl)-2-N-methyl-4-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-ylidene]pyridine-2,4-dicarboxamide
CID 163909533
N-cyclopentyl-6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109363292
N-cyclopropyl-4-[2-(1H-indol-3-yl)ethylsulfamoyl]benzamide
CID 109058300
N-cyclopropyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 109295766
2-(cyclopropylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide
CID 109247506
4-N-cyclopropyl-6-[(S)-hydroxy-(2-methylphenyl)methyl]-2-N-methylpyridine-2,4-dicarboxamide
CID 139295953

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-(1H-indol-3-ylmethyl)-2-N-methylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-cyclopropyl-6-(1H-indol-3-ylmethyl)-2-N-methylpyridine-2,4-dicarboxamide (CID 145407052) is 4-N-cyclopropyl-6-(1H-indol-3-ylmethyl)-2-N-methylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-cyclopropyl-6-(1H-indol-3-ylmethyl)-2-N-methylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-cyclopropyl-6-(1H-indol-3-ylmethyl)-2-N-methylpyridine-2,4-dicarboxamide is CNC(=O)c1cc(C(=O)NC2CC2)cc(Cc2c[nH]c3ccccc23)n1.
What is the InChIKey of 4-N-cyclopropyl-6-(1H-indol-3-ylmethyl)-2-N-methylpyridine-2,4-dicarboxamide?
The InChIKey is RLTDKWHVMFWSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-21-20(26)18-10-12(19(25)24-14-6-7-14)8-15(23-18)9-13-11-22-17-5-3-2-4-16(13)17/h2-5,8,10-11,14,22H,6-7,9H2,1H3,(H,21,26)(H,24,25).
What are the key properties of 4-N-cyclopropyl-6-(1H-indol-3-ylmethyl)-2-N-methylpyridine-2,4-dicarboxamide?
4-N-cyclopropyl-6-(1H-indol-3-ylmethyl)-2-N-methylpyridine-2,4-dicarboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-6-(1H-indol-3-ylmethyl)-2-N-methylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 145407052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).