N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxamide

C22H20N6O3 — CID 167511498

IUPACN-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxamide
SMILESCNc1cc2ncc(-c3cc(NC(=O)c4noc5c4COCC5)cnc3C)cc2cn1
InChIInChI=1S/C22H20N6O3/c1-12-16(13-5-14-9-26-20(23-2)7-18(14)25-8-13)6-15(10-24-12)27-22(29)21-17-11-30-4-3-19(17)31-28-21/h5-10H,3-4,11H2,1-2H3,(H,23,26)(H,27,29)
InChIKeyFZAHRRAJJLBAAW-UHFFFAOYSA-N
MW416.44 g/mol
LogP3.35
Rot. Bonds4

About N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxamide

N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxamide (PubChem CID 167511498) has the molecular formula C22H20N6O3 and a molecular weight of 416.44 g/mol. Its IUPAC name is N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxamide
PubChem CID167511498
Molecular FormulaC22H20N6O3
Molecular Weight416.44 g/mol
Exact Mass416.16
IUPAC NameN-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxamide
SMILESCNc1cc2ncc(-c3cc(NC(=O)c4noc5c4COCC5)cnc3C)cc2cn1
InChIInChI=1S/C22H20N6O3/c1-12-16(13-5-14-9-26-20(23-2)7-18(14)25-8-13)6-15(10-24-12)27-22(29)21-17-11-30-4-3-19(17)31-28-21/h5-10H,3-4,11H2,1-2H3,(H,23,26)(H,27,29)
InChIKeyFZAHRRAJJLBAAW-UHFFFAOYSA-N
XLogP3.35
TPSA115.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxamide?
The IUPAC name of N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxamide (CID 167511498) is N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxamide.
What is the SMILES notation for N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxamide?
The canonical SMILES for N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxamide is CNc1cc2ncc(-c3cc(NC(=O)c4noc5c4COCC5)cnc3C)cc2cn1.
What is the InChIKey of N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxamide?
The InChIKey is FZAHRRAJJLBAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O3/c1-12-16(13-5-14-9-26-20(23-2)7-18(14)25-8-13)6-15(10-24-12)27-22(29)21-17-11-30-4-3-19(17)31-28-21/h5-10H,3-4,11H2,1-2H3,(H,23,26)(H,27,29).
What are the key properties of N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxamide?
N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxamide has a molecular weight of 416.44 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxamide is sourced from PubChem (CID 167511498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).