N-[6-(2H-chromene-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3,4-difluorobenzamide

C24H18F2N4O3 — CID 68679140

IUPACN-[6-(2H-chromene-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3,4-difluorobenzamide
SMILESO=C(Nc1ncc2c(n1)CCN(C(=O)C1=Cc3ccccc3OC1)C2)c1ccc(F)c(F)c1
InChIInChI=1S/C24H18F2N4O3/c25-18-6-5-15(10-19(18)26)22(31)29-24-27-11-17-12-30(8-7-20(17)28-24)23(32)16-9-14-3-1-2-4-21(14)33-13-16/h1-6,9-11H,7-8,12-13H2,(H,27,28,29,31)
InChIKeyUCUPVXNFSSMXMQ-UHFFFAOYSA-N
MW448.43 g/mol
LogP3.37
Rot. Bonds3

About N-[6-(2H-chromene-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3,4-difluorobenzamide

N-[6-(2H-chromene-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3,4-difluorobenzamide (PubChem CID 68679140) has the molecular formula C24H18F2N4O3 and a molecular weight of 448.43 g/mol. Its IUPAC name is N-[6-(2H-chromene-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[6-(2H-chromene-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3,4-difluorobenzamide
PubChem CID68679140
Molecular FormulaC24H18F2N4O3
Molecular Weight448.43 g/mol
Exact Mass448.13
IUPAC NameN-[6-(2H-chromene-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3,4-difluorobenzamide
SMILESO=C(Nc1ncc2c(n1)CCN(C(=O)C1=Cc3ccccc3OC1)C2)c1ccc(F)c(F)c1
InChIInChI=1S/C24H18F2N4O3/c25-18-6-5-15(10-19(18)26)22(31)29-24-27-11-17-12-30(8-7-20(17)28-24)23(32)16-9-14-3-1-2-4-21(14)33-13-16/h1-6,9-11H,7-8,12-13H2,(H,27,28,29,31)
InChIKeyUCUPVXNFSSMXMQ-UHFFFAOYSA-N
XLogP3.37
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2H-chromene-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3,4-difluorobenzamide?
The IUPAC name of N-[6-(2H-chromene-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3,4-difluorobenzamide (CID 68679140) is N-[6-(2H-chromene-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[6-(2H-chromene-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3,4-difluorobenzamide?
The canonical SMILES for N-[6-(2H-chromene-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3,4-difluorobenzamide is O=C(Nc1ncc2c(n1)CCN(C(=O)C1=Cc3ccccc3OC1)C2)c1ccc(F)c(F)c1.
What is the InChIKey of N-[6-(2H-chromene-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3,4-difluorobenzamide?
The InChIKey is UCUPVXNFSSMXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N4O3/c25-18-6-5-15(10-19(18)26)22(31)29-24-27-11-17-12-30(8-7-20(17)28-24)23(32)16-9-14-3-1-2-4-21(14)33-13-16/h1-6,9-11H,7-8,12-13H2,(H,27,28,29,31).
What are the key properties of N-[6-(2H-chromene-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3,4-difluorobenzamide?
N-[6-(2H-chromene-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3,4-difluorobenzamide has a molecular weight of 448.43 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2H-chromene-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3,4-difluorobenzamide is sourced from PubChem (CID 68679140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).