N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-oxo-3H-pyrido[3,4-d]pyrimidine-6-carboxamide

C19H16F2N4O3 — CID 136533245

IUPACN-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-oxo-3H-pyrido[3,4-d]pyrimidine-6-carboxamide
SMILESO=C(NC1CCCc2cc(OC(F)F)ccc21)c1cc2c(=O)[nH]cnc2cn1
InChIInChI=1S/C19H16F2N4O3/c20-19(21)28-11-4-5-12-10(6-11)2-1-3-14(12)25-18(27)15-7-13-16(8-22-15)23-9-24-17(13)26/h4-9,14,19H,1-3H2,(H,25,27)(H,23,24,26)
InChIKeyBJBCDRVOJJFRSW-UHFFFAOYSA-N
MW386.36 g/mol
LogP2.73
Rot. Bonds4

About N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-oxo-3H-pyrido[3,4-d]pyrimidine-6-carboxamide

N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-oxo-3H-pyrido[3,4-d]pyrimidine-6-carboxamide (PubChem CID 136533245) has the molecular formula C19H16F2N4O3 and a molecular weight of 386.36 g/mol. Its IUPAC name is N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-oxo-3H-pyrido[3,4-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-oxo-3H-pyrido[3,4-d]pyrimidine-6-carboxamide
PubChem CID136533245
Molecular FormulaC19H16F2N4O3
Molecular Weight386.36 g/mol
Exact Mass386.12
IUPAC NameN-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-oxo-3H-pyrido[3,4-d]pyrimidine-6-carboxamide
SMILESO=C(NC1CCCc2cc(OC(F)F)ccc21)c1cc2c(=O)[nH]cnc2cn1
InChIInChI=1S/C19H16F2N4O3/c20-19(21)28-11-4-5-12-10(6-11)2-1-3-14(12)25-18(27)15-7-13-16(8-22-15)23-9-24-17(13)26/h4-9,14,19H,1-3H2,(H,25,27)(H,23,24,26)
InChIKeyBJBCDRVOJJFRSW-UHFFFAOYSA-N
XLogP2.73
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-oxo-3H-pyrido[3,4-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-oxo-3H-pyrido[3,4-d]pyrimidine-6-carboxamide (CID 136533245) is N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-oxo-3H-pyrido[3,4-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-oxo-3H-pyrido[3,4-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-oxo-3H-pyrido[3,4-d]pyrimidine-6-carboxamide is O=C(NC1CCCc2cc(OC(F)F)ccc21)c1cc2c(=O)[nH]cnc2cn1.
What is the InChIKey of N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-oxo-3H-pyrido[3,4-d]pyrimidine-6-carboxamide?
The InChIKey is BJBCDRVOJJFRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O3/c20-19(21)28-11-4-5-12-10(6-11)2-1-3-14(12)25-18(27)15-7-13-16(8-22-15)23-9-24-17(13)26/h4-9,14,19H,1-3H2,(H,25,27)(H,23,24,26).
What are the key properties of N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-oxo-3H-pyrido[3,4-d]pyrimidine-6-carboxamide?
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-oxo-3H-pyrido[3,4-d]pyrimidine-6-carboxamide has a molecular weight of 386.36 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-oxo-3H-pyrido[3,4-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 136533245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).