4-(2,6-dicyclopropyl-4-pyridinyl)-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-3,4-dihydro-2H-chromene-7-carboxamide

C28H29N3O4S — CID 134249085

IUPAC4-(2,6-dicyclopropyl-4-pyridinyl)-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-3,4-dihydro-2H-chromene-7-carboxamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)OCCC3c2cc(C3CC3)nc(C3CC3)c2)nc1
InChIInChI=1S/C28H29N3O4S/c1-36(33,34)22-8-7-21(29-16-22)15-30-28(32)19-6-9-24-23(10-11-35-27(24)14-19)20-12-25(17-2-3-17)31-26(13-20)18-4-5-18/h6-9,12-14,16-18,23H,2-5,10-11,15H2,1H3,(H,30,32)
InChIKeyBXLUGQBRPVIKGW-UHFFFAOYSA-N
MW503.62 g/mol
LogP4.48
Rot. Bonds7

About 4-(2,6-dicyclopropyl-4-pyridinyl)-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-3,4-dihydro-2H-chromene-7-carboxamide

4-(2,6-dicyclopropyl-4-pyridinyl)-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-3,4-dihydro-2H-chromene-7-carboxamide (PubChem CID 134249085) has the molecular formula C28H29N3O4S and a molecular weight of 503.62 g/mol. Its IUPAC name is 4-(2,6-dicyclopropyl-4-pyridinyl)-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-3,4-dihydro-2H-chromene-7-carboxamide.

Molecular Properties

Compound Name4-(2,6-dicyclopropyl-4-pyridinyl)-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-3,4-dihydro-2H-chromene-7-carboxamide
PubChem CID134249085
Molecular FormulaC28H29N3O4S
Molecular Weight503.62 g/mol
Exact Mass503.19
IUPAC Name4-(2,6-dicyclopropyl-4-pyridinyl)-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-3,4-dihydro-2H-chromene-7-carboxamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)OCCC3c2cc(C3CC3)nc(C3CC3)c2)nc1
InChIInChI=1S/C28H29N3O4S/c1-36(33,34)22-8-7-21(29-16-22)15-30-28(32)19-6-9-24-23(10-11-35-27(24)14-19)20-12-25(17-2-3-17)31-26(13-20)18-4-5-18/h6-9,12-14,16-18,23H,2-5,10-11,15H2,1H3,(H,30,32)
InChIKeyBXLUGQBRPVIKGW-UHFFFAOYSA-N
XLogP4.48
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.62
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(2,6-dicyclopropyl-4-pyridinyl)-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-3,4-dihydro-2H-chromene-7-carboxamide with MolForge

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Related Compounds

N-[1-(6-methoxypyridin-2-yl)ethyl]-5H-chromeno [3,4-c]pyridine-8-carboxamide
CID 121363764
N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-4-[2-[6-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]benzamide
CID 164615855
N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-4-[2-(7-propan-2-yloxy-3,4-dihydro-2H-quinolin-1-yl)ethyl]benzamide
CID 164621679
N-(3-sulfamoylbenzyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363521
N-(3-(methylsulfonyl)benzyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363528
N-(3-(2-methoxy-thiazol-4-yl) benzyl)-5H-chromeno[3,4-c] pyridine-8-carboxamide
CID 121363548
N-(4-sulfamoylbenzyl)-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 121363617
N-(3-(methylsulfonamido) benzyl)-5H-chromeno[3,4-c] pyridine-8-carboxamide
CID 121363668
N-(3-(N-ethylsulfamoyl) benzyl)-5H-chromeno[3,4-c] pyridine-8-carboxamide
CID 121363739
N-((5-methylthiophen-3-yl) methyl)-5H-chromeno[3,4-c] pyridine-8-carboxamide
CID 121363821
US10336733, Example 18
CID 129208170
US10336733, Example 6
CID 129208192

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dicyclopropyl-4-pyridinyl)-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-3,4-dihydro-2H-chromene-7-carboxamide?
The IUPAC name of 4-(2,6-dicyclopropyl-4-pyridinyl)-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-3,4-dihydro-2H-chromene-7-carboxamide (CID 134249085) is 4-(2,6-dicyclopropyl-4-pyridinyl)-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-3,4-dihydro-2H-chromene-7-carboxamide.
What is the SMILES notation for 4-(2,6-dicyclopropyl-4-pyridinyl)-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-3,4-dihydro-2H-chromene-7-carboxamide?
The canonical SMILES for 4-(2,6-dicyclopropyl-4-pyridinyl)-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-3,4-dihydro-2H-chromene-7-carboxamide is CS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)OCCC3c2cc(C3CC3)nc(C3CC3)c2)nc1.
What is the InChIKey of 4-(2,6-dicyclopropyl-4-pyridinyl)-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-3,4-dihydro-2H-chromene-7-carboxamide?
The InChIKey is BXLUGQBRPVIKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O4S/c1-36(33,34)22-8-7-21(29-16-22)15-30-28(32)19-6-9-24-23(10-11-35-27(24)14-19)20-12-25(17-2-3-17)31-26(13-20)18-4-5-18/h6-9,12-14,16-18,23H,2-5,10-11,15H2,1H3,(H,30,32).
What are the key properties of 4-(2,6-dicyclopropyl-4-pyridinyl)-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-3,4-dihydro-2H-chromene-7-carboxamide?
4-(2,6-dicyclopropyl-4-pyridinyl)-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-3,4-dihydro-2H-chromene-7-carboxamide has a molecular weight of 503.62 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dicyclopropyl-4-pyridinyl)-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-3,4-dihydro-2H-chromene-7-carboxamide is sourced from PubChem (CID 134249085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).