N-[(3,4-dihydroxyoxan-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carboxamide

C14H20N4O4 — CID 171557397

IUPACN-[(3,4-dihydroxyoxan-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carboxamide
SMILESO=C(NCC1OCCC(O)C1O)c1ncc2c(n1)CCNC2
InChIInChI=1S/C14H20N4O4/c19-10-2-4-22-11(12(10)20)7-17-14(21)13-16-6-8-5-15-3-1-9(8)18-13/h6,10-12,15,19-20H,1-5,7H2,(H,17,21)
InChIKeyZHTBDVYIZZOPIY-UHFFFAOYSA-N
MW308.34 g/mol
LogP-1.64
Rot. Bonds3

About N-[(3,4-dihydroxyoxan-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carboxamide

N-[(3,4-dihydroxyoxan-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carboxamide (PubChem CID 171557397) has the molecular formula C14H20N4O4 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[(3,4-dihydroxyoxan-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dihydroxyoxan-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carboxamide
PubChem CID171557397
Molecular FormulaC14H20N4O4
Molecular Weight308.34 g/mol
Exact Mass308.15
IUPAC NameN-[(3,4-dihydroxyoxan-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carboxamide
SMILESO=C(NCC1OCCC(O)C1O)c1ncc2c(n1)CCNC2
InChIInChI=1S/C14H20N4O4/c19-10-2-4-22-11(12(10)20)7-17-14(21)13-16-6-8-5-15-3-1-9(8)18-13/h6,10-12,15,19-20H,1-5,7H2,(H,17,21)
InChIKeyZHTBDVYIZZOPIY-UHFFFAOYSA-N
XLogP-1.64
TPSA116.60 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 5-1.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dihydroxyoxan-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carboxamide?
The IUPAC name of N-[(3,4-dihydroxyoxan-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carboxamide (CID 171557397) is N-[(3,4-dihydroxyoxan-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(3,4-dihydroxyoxan-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(3,4-dihydroxyoxan-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carboxamide is O=C(NCC1OCCC(O)C1O)c1ncc2c(n1)CCNC2.
What is the InChIKey of N-[(3,4-dihydroxyoxan-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carboxamide?
The InChIKey is ZHTBDVYIZZOPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4/c19-10-2-4-22-11(12(10)20)7-17-14(21)13-16-6-8-5-15-3-1-9(8)18-13/h6,10-12,15,19-20H,1-5,7H2,(H,17,21).
What are the key properties of N-[(3,4-dihydroxyoxan-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carboxamide?
N-[(3,4-dihydroxyoxan-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carboxamide has a molecular weight of 308.34 g/mol, XLogP of -1.64, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dihydroxyoxan-2-yl)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 171557397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).