N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethynyl]pyrimidin-2-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C24H19F2N5O4 — CID 155415350

IUPACN-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethynyl]pyrimidin-2-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOc1cc(OC)c(F)c(C#Cc2cnc(NC(=O)N3CCCc4ccc(C=O)nc43)nc2)c1F
InChIInChI=1S/C24H19F2N5O4/c1-34-18-10-19(35-2)21(26)17(20(18)25)8-5-14-11-27-23(28-12-14)30-24(33)31-9-3-4-15-6-7-16(13-32)29-22(15)31/h6-7,10-13H,3-4,9H2,1-2H3,(H,27,28,30,33)
InChIKeyKYVXSRPSJYHRMK-UHFFFAOYSA-N
MW479.44 g/mol
LogP3.36
Rot. Bonds4

About N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethynyl]pyrimidin-2-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethynyl]pyrimidin-2-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 155415350) has the molecular formula C24H19F2N5O4 and a molecular weight of 479.44 g/mol. Its IUPAC name is N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethynyl]pyrimidin-2-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethynyl]pyrimidin-2-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID155415350
Molecular FormulaC24H19F2N5O4
Molecular Weight479.44 g/mol
Exact Mass479.14
IUPAC NameN-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethynyl]pyrimidin-2-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOc1cc(OC)c(F)c(C#Cc2cnc(NC(=O)N3CCCc4ccc(C=O)nc43)nc2)c1F
InChIInChI=1S/C24H19F2N5O4/c1-34-18-10-19(35-2)21(26)17(20(18)25)8-5-14-11-27-23(28-12-14)30-24(33)31-9-3-4-15-6-7-16(13-32)29-22(15)31/h6-7,10-13H,3-4,9H2,1-2H3,(H,27,28,30,33)
InChIKeyKYVXSRPSJYHRMK-UHFFFAOYSA-N
XLogP3.36
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethynyl]pyrimidin-2-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethynyl]pyrimidin-2-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 155415350) is N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethynyl]pyrimidin-2-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethynyl]pyrimidin-2-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethynyl]pyrimidin-2-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COc1cc(OC)c(F)c(C#Cc2cnc(NC(=O)N3CCCc4ccc(C=O)nc43)nc2)c1F.
What is the InChIKey of N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethynyl]pyrimidin-2-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is KYVXSRPSJYHRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N5O4/c1-34-18-10-19(35-2)21(26)17(20(18)25)8-5-14-11-27-23(28-12-14)30-24(33)31-9-3-4-15-6-7-16(13-32)29-22(15)31/h6-7,10-13H,3-4,9H2,1-2H3,(H,27,28,30,33).
What are the key properties of N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethynyl]pyrimidin-2-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethynyl]pyrimidin-2-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 479.44 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2,6-difluoro-3,5-dimethoxyphenyl)ethynyl]pyrimidin-2-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 155415350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).