3-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]-N-(oxetan-3-yl)pyridine-2-carboxamide

C28H27N3O4 — CID 169269360

IUPAC3-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]-N-(oxetan-3-yl)pyridine-2-carboxamide
SMILESCc1cc(C(C)Nc2cccnc2C(=O)NC2COC2)c2oc(-c3ccccc3)c(C)c(=O)c2c1
InChIInChI=1S/C28H27N3O4/c1-16-12-21(18(3)30-23-10-7-11-29-24(23)28(33)31-20-14-34-15-20)27-22(13-16)25(32)17(2)26(35-27)19-8-5-4-6-9-19/h4-13,18,20,30H,14-15H2,1-3H3,(H,31,33)
InChIKeySGQCDUHBWTVRLZ-UHFFFAOYSA-N
MW469.54 g/mol
LogP4.77
Rot. Bonds6

About 3-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]-N-(oxetan-3-yl)pyridine-2-carboxamide

3-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]-N-(oxetan-3-yl)pyridine-2-carboxamide (PubChem CID 169269360) has the molecular formula C28H27N3O4 and a molecular weight of 469.54 g/mol. Its IUPAC name is 3-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]-N-(oxetan-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]-N-(oxetan-3-yl)pyridine-2-carboxamide
PubChem CID169269360
Molecular FormulaC28H27N3O4
Molecular Weight469.54 g/mol
Exact Mass469.20
IUPAC Name3-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]-N-(oxetan-3-yl)pyridine-2-carboxamide
SMILESCc1cc(C(C)Nc2cccnc2C(=O)NC2COC2)c2oc(-c3ccccc3)c(C)c(=O)c2c1
InChIInChI=1S/C28H27N3O4/c1-16-12-21(18(3)30-23-10-7-11-29-24(23)28(33)31-20-14-34-15-20)27-22(13-16)25(32)17(2)26(35-27)19-8-5-4-6-9-19/h4-13,18,20,30H,14-15H2,1-3H3,(H,31,33)
InChIKeySGQCDUHBWTVRLZ-UHFFFAOYSA-N
XLogP4.77
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-3-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]pyridine-2-carboxamide
CID 169270069
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-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]pyridine-2-carbonyl]sulfamoylcarbamic acid
CID 170339320
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
8-[(1R)-1-[[2-(difluoromethyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 169269764
3-[1-[3,6-dimethyl-2-(1-methylpyridin-1-ium-3-yl)-4-oxochromen-8-yl]ethylamino]-N-methylsulfonylpyridine-2-carboxamide
CID 174171485
6-chloro-3-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]-N-hydroxypyridine-2-carboxamide
CID 169269774
3,6-dimethyl-8-[(1R)-1-(2-methylanilino)ethyl]-2-phenylchromen-4-one
CID 169269773
3-[[(1R)-1-[2-(3-tert-butylphenyl)-3,6-dimethyl-4-oxochromen-8-yl]ethyl]amino]-N-methylsulfonylpyridine-2-carboxamide
CID 174171051
8-[1-[[2-(2-fluorophenyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 174203272
8-[(1R)-1-[[2-(2,6-difluorophenyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 174170867

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]-N-(oxetan-3-yl)pyridine-2-carboxamide?
The IUPAC name of 3-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]-N-(oxetan-3-yl)pyridine-2-carboxamide (CID 169269360) is 3-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]-N-(oxetan-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]-N-(oxetan-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]-N-(oxetan-3-yl)pyridine-2-carboxamide is Cc1cc(C(C)Nc2cccnc2C(=O)NC2COC2)c2oc(-c3ccccc3)c(C)c(=O)c2c1.
What is the InChIKey of 3-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]-N-(oxetan-3-yl)pyridine-2-carboxamide?
The InChIKey is SGQCDUHBWTVRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O4/c1-16-12-21(18(3)30-23-10-7-11-29-24(23)28(33)31-20-14-34-15-20)27-22(13-16)25(32)17(2)26(35-27)19-8-5-4-6-9-19/h4-13,18,20,30H,14-15H2,1-3H3,(H,31,33).
What are the key properties of 3-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]-N-(oxetan-3-yl)pyridine-2-carboxamide?
3-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]-N-(oxetan-3-yl)pyridine-2-carboxamide has a molecular weight of 469.54 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]-N-(oxetan-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 169269360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).