[3-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]pyridine-2-carbonyl]sulfamoylcarbamic acid

C26H24N4O7S — CID 170339320

IUPAC[3-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]pyridine-2-carbonyl]sulfamoylcarbamic acid
SMILESCc1cc(C(C)Nc2cccnc2C(=O)NS(=O)(=O)NC(=O)O)c2oc(-c3ccccc3)c(C)c(=O)c2c1
InChIInChI=1S/C26H24N4O7S/c1-14-12-18(24-19(13-14)22(31)15(2)23(37-24)17-8-5-4-6-9-17)16(3)28-20-10-7-11-27-21(20)25(32)29-38(35,36)30-26(33)34/h4-13,16,28,30H,1-3H3,(H,29,32)(H,33,34)
InChIKeyHPVHSASACUXOJJ-UHFFFAOYSA-N
MW536.57 g/mol
LogP3.89
Rot. Bonds7

About [3-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]pyridine-2-carbonyl]sulfamoylcarbamic acid

[3-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]pyridine-2-carbonyl]sulfamoylcarbamic acid (PubChem CID 170339320) has the molecular formula C26H24N4O7S and a molecular weight of 536.57 g/mol. Its IUPAC name is [3-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]pyridine-2-carbonyl]sulfamoylcarbamic acid.

Molecular Properties

Compound Name[3-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]pyridine-2-carbonyl]sulfamoylcarbamic acid
PubChem CID170339320
Molecular FormulaC26H24N4O7S
Molecular Weight536.57 g/mol
Exact Mass536.14
IUPAC Name[3-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]pyridine-2-carbonyl]sulfamoylcarbamic acid
SMILESCc1cc(C(C)Nc2cccnc2C(=O)NS(=O)(=O)NC(=O)O)c2oc(-c3ccccc3)c(C)c(=O)c2c1
InChIInChI=1S/C26H24N4O7S/c1-14-12-18(24-19(13-14)22(31)15(2)23(37-24)17-8-5-4-6-9-17)16(3)28-20-10-7-11-27-21(20)25(32)29-38(35,36)30-26(33)34/h4-13,16,28,30H,1-3H3,(H,29,32)(H,33,34)
InChIKeyHPVHSASACUXOJJ-UHFFFAOYSA-N
XLogP3.89
TPSA167.70 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.57
LogP ≤ 53.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

N-cyclopentyl-3-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]pyridine-2-carboxamide
CID 169270069
3-[1-[3,6-dimethyl-2-(1-methylpyridin-1-ium-3-yl)-4-oxochromen-8-yl]ethylamino]-N-methylsulfonylpyridine-2-carboxamide
CID 174171485
3-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]-N-(oxetan-3-yl)pyridine-2-carboxamide
CID 169269360
3-[[(1R)-1-[2-(3-tert-butylphenyl)-3,6-dimethyl-4-oxochromen-8-yl]ethyl]amino]-N-methylsulfonylpyridine-2-carboxamide
CID 174171051
3-[[(1R)-1-[2-[3-(2-hydroxypropan-2-yl)phenyl]-3,6-dimethyl-4-oxochromen-8-yl]ethyl]amino]-N-methylsulfonylpyridine-2-carboxamide
CID 174171935
3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]-N-[[(3S)-oxolan-3-yl]methyl]pyridine-2-carboxamide
CID 169268816
3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]-6-methyl-N-methylsulfonylpyridine-2-carboxamide
CID 170419843
8-[1-[(2-fluoro-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 169270678
3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]-N-[(1-methylpyrrol-3-yl)methyl]pyridine-2-carboxamide
CID 169268714
6-chloro-3-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]-N-methylsulfonylpyridine-2-carboxamide
CID 169269012
8-[(1R)-1-[[2-(difluoromethyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 169269764
3,6-dimethyl-8-[(1R)-1-(2-methylanilino)ethyl]-2-phenylchromen-4-one
CID 169269773

Frequently Asked Questions

What is the IUPAC name of [3-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]pyridine-2-carbonyl]sulfamoylcarbamic acid?
The IUPAC name of [3-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]pyridine-2-carbonyl]sulfamoylcarbamic acid (CID 170339320) is [3-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]pyridine-2-carbonyl]sulfamoylcarbamic acid.
What is the SMILES notation for [3-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]pyridine-2-carbonyl]sulfamoylcarbamic acid?
The canonical SMILES for [3-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]pyridine-2-carbonyl]sulfamoylcarbamic acid is Cc1cc(C(C)Nc2cccnc2C(=O)NS(=O)(=O)NC(=O)O)c2oc(-c3ccccc3)c(C)c(=O)c2c1.
What is the InChIKey of [3-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]pyridine-2-carbonyl]sulfamoylcarbamic acid?
The InChIKey is HPVHSASACUXOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O7S/c1-14-12-18(24-19(13-14)22(31)15(2)23(37-24)17-8-5-4-6-9-17)16(3)28-20-10-7-11-27-21(20)25(32)29-38(35,36)30-26(33)34/h4-13,16,28,30H,1-3H3,(H,29,32)(H,33,34).
What are the key properties of [3-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]pyridine-2-carbonyl]sulfamoylcarbamic acid?
[3-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]pyridine-2-carbonyl]sulfamoylcarbamic acid has a molecular weight of 536.57 g/mol, XLogP of 3.89, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]pyridine-2-carbonyl]sulfamoylcarbamic acid is sourced from PubChem (CID 170339320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).