6-(1,3-difluoropropan-2-yloxy)-N-[(3S)-5-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide

C23H21F2N3O3 — CID 66813903

IUPAC6-(1,3-difluoropropan-2-yloxy)-N-[(3S)-5-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1COc2cccc(-c3ccncc3)c2C1)c1ccc(OC(CF)CF)nc1
InChIInChI=1S/C23H21F2N3O3/c24-11-18(12-25)31-22-5-4-16(13-27-22)23(29)28-17-10-20-19(15-6-8-26-9-7-15)2-1-3-21(20)30-14-17/h1-9,13,17-18H,10-12,14H2,(H,28,29)/t17-/m0/s1
InChIKeyCVPYHUGHMFFGGD-KRWDZBQOSA-N
MW425.44 g/mol
LogP3.56
Rot. Bonds7

About 6-(1,3-difluoropropan-2-yloxy)-N-[(3S)-5-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide

6-(1,3-difluoropropan-2-yloxy)-N-[(3S)-5-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide (PubChem CID 66813903) has the molecular formula C23H21F2N3O3 and a molecular weight of 425.44 g/mol. Its IUPAC name is 6-(1,3-difluoropropan-2-yloxy)-N-[(3S)-5-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(1,3-difluoropropan-2-yloxy)-N-[(3S)-5-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide
PubChem CID66813903
Molecular FormulaC23H21F2N3O3
Molecular Weight425.44 g/mol
Exact Mass425.16
IUPAC Name6-(1,3-difluoropropan-2-yloxy)-N-[(3S)-5-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1COc2cccc(-c3ccncc3)c2C1)c1ccc(OC(CF)CF)nc1
InChIInChI=1S/C23H21F2N3O3/c24-11-18(12-25)31-22-5-4-16(13-27-22)23(29)28-17-10-20-19(15-6-8-26-9-7-15)2-1-3-21(20)30-14-17/h1-9,13,17-18H,10-12,14H2,(H,28,29)/t17-/m0/s1
InChIKeyCVPYHUGHMFFGGD-KRWDZBQOSA-N
XLogP3.56
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(1,3-difluoropropan-2-yloxy)-N-[(3S)-5-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

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CID 56945146
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VU0404251
CID 58368068
N-[3,3-Bis-(4-fluorophenyl)-propyl]-6-(2,2,2-trifluoro-ethoxy)-nicotinamide
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6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-propan-2-ylpyridine-3-carboxamide
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6-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]-6H-isochromeno[3,4-c] pyridine-8-carboxamide
CID 86566735
N-[(1R)-1-(3-methoxyphenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 86764444
N-[4-[[3-[[5-(trifluoromethyl)-2-pyridyl]oxy]phenyl]methylene]cyclohexyl]-pyridine-3-carboxamide
CID 89463724
US10329302, Example 309
CID 118424424
US9914740, VIII-8
CID 121363547
N-[(1R)-1-(3-methoxyphenyl)ethyl]-6H-isochromeno[3,4-c]pyridine-8-carboxamide
CID 121363564
US9914740, VIII-23
CID 121363616

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-difluoropropan-2-yloxy)-N-[(3S)-5-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide?
The IUPAC name of 6-(1,3-difluoropropan-2-yloxy)-N-[(3S)-5-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide (CID 66813903) is 6-(1,3-difluoropropan-2-yloxy)-N-[(3S)-5-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(1,3-difluoropropan-2-yloxy)-N-[(3S)-5-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-(1,3-difluoropropan-2-yloxy)-N-[(3S)-5-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide is O=C(N[C@@H]1COc2cccc(-c3ccncc3)c2C1)c1ccc(OC(CF)CF)nc1.
What is the InChIKey of 6-(1,3-difluoropropan-2-yloxy)-N-[(3S)-5-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide?
The InChIKey is CVPYHUGHMFFGGD-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H21F2N3O3/c24-11-18(12-25)31-22-5-4-16(13-27-22)23(29)28-17-10-20-19(15-6-8-26-9-7-15)2-1-3-21(20)30-14-17/h1-9,13,17-18H,10-12,14H2,(H,28,29)/t17-/m0/s1.
What are the key properties of 6-(1,3-difluoropropan-2-yloxy)-N-[(3S)-5-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide?
6-(1,3-difluoropropan-2-yloxy)-N-[(3S)-5-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide has a molecular weight of 425.44 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-difluoropropan-2-yloxy)-N-[(3S)-5-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 66813903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).