8-[3-(4-fluoro-4H-pyridin-1-yl)butan-2-yl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide

C25H30FN3O4 — CID 172636505

IUPAC8-[3-(4-fluoro-4H-pyridin-1-yl)butan-2-yl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
SMILESCC(c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12)C(C)N1C=CC(F)C=C1
InChIInChI=1S/C25H30FN3O4/c1-16(17(2)28-7-5-19(26)6-8-28)20-13-18(25(31)27(3)4)14-21-22(30)15-23(33-24(20)21)29-9-11-32-12-10-29/h5-8,13-17,19H,9-12H2,1-4H3
InChIKeyNMYYJYOMZYXQNE-UHFFFAOYSA-N
MW455.53 g/mol
LogP3.50
Rot. Bonds5

About 8-[3-(4-fluoro-4H-pyridin-1-yl)butan-2-yl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide

8-[3-(4-fluoro-4H-pyridin-1-yl)butan-2-yl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide (PubChem CID 172636505) has the molecular formula C25H30FN3O4 and a molecular weight of 455.53 g/mol. Its IUPAC name is 8-[3-(4-fluoro-4H-pyridin-1-yl)butan-2-yl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide.

Molecular Properties

Compound Name8-[3-(4-fluoro-4H-pyridin-1-yl)butan-2-yl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
PubChem CID172636505
Molecular FormulaC25H30FN3O4
Molecular Weight455.53 g/mol
Exact Mass455.22
IUPAC Name8-[3-(4-fluoro-4H-pyridin-1-yl)butan-2-yl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
SMILESCC(c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12)C(C)N1C=CC(F)C=C1
InChIInChI=1S/C25H30FN3O4/c1-16(17(2)28-7-5-19(26)6-8-28)20-13-18(25(31)27(3)4)14-21-22(30)15-23(33-24(20)21)29-9-11-32-12-10-29/h5-8,13-17,19H,9-12H2,1-4H3
InChIKeyNMYYJYOMZYXQNE-UHFFFAOYSA-N
XLogP3.50
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.53
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[3-(4-fluoro-4H-pyridin-1-yl)butan-2-yl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
The IUPAC name of 8-[3-(4-fluoro-4H-pyridin-1-yl)butan-2-yl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide (CID 172636505) is 8-[3-(4-fluoro-4H-pyridin-1-yl)butan-2-yl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide.
What is the SMILES notation for 8-[3-(4-fluoro-4H-pyridin-1-yl)butan-2-yl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
The canonical SMILES for 8-[3-(4-fluoro-4H-pyridin-1-yl)butan-2-yl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide is CC(c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12)C(C)N1C=CC(F)C=C1.
What is the InChIKey of 8-[3-(4-fluoro-4H-pyridin-1-yl)butan-2-yl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
The InChIKey is NMYYJYOMZYXQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O4/c1-16(17(2)28-7-5-19(26)6-8-28)20-13-18(25(31)27(3)4)14-21-22(30)15-23(33-24(20)21)29-9-11-32-12-10-29/h5-8,13-17,19H,9-12H2,1-4H3.
What are the key properties of 8-[3-(4-fluoro-4H-pyridin-1-yl)butan-2-yl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
8-[3-(4-fluoro-4H-pyridin-1-yl)butan-2-yl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide has a molecular weight of 455.53 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(4-fluoro-4H-pyridin-1-yl)butan-2-yl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide is sourced from PubChem (CID 172636505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).