[(3R)-2-oxopyrrolidin-3-yl] N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamate

C19H18N6O3 — CID 135344703

IUPAC[(3R)-2-oxopyrrolidin-3-yl] N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamate
SMILESCc1ccncc1-c1cc2cc(NC(=O)O[C@@H]3CCNC3=O)ncc2c(N)n1
InChIInChI=1S/C19H18N6O3/c1-10-2-4-21-8-12(10)14-6-11-7-16(23-9-13(11)17(20)24-14)25-19(27)28-15-3-5-22-18(15)26/h2,4,6-9,15H,3,5H2,1H3,(H2,20,24)(H,22,26)(H,23,25,27)/t15-/m1/s1
InChIKeyNNCYNNGMAPUGDN-OAHLLOKOSA-N
MW378.39 g/mol
LogP2.02
Rot. Bonds3

About [(3R)-2-oxopyrrolidin-3-yl] N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamate

[(3R)-2-oxopyrrolidin-3-yl] N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamate (PubChem CID 135344703) has the molecular formula C19H18N6O3 and a molecular weight of 378.39 g/mol. Its IUPAC name is [(3R)-2-oxopyrrolidin-3-yl] N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamate.

Molecular Properties

Compound Name[(3R)-2-oxopyrrolidin-3-yl] N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamate
PubChem CID135344703
Molecular FormulaC19H18N6O3
Molecular Weight378.39 g/mol
Exact Mass378.14
IUPAC Name[(3R)-2-oxopyrrolidin-3-yl] N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamate
SMILESCc1ccncc1-c1cc2cc(NC(=O)O[C@@H]3CCNC3=O)ncc2c(N)n1
InChIInChI=1S/C19H18N6O3/c1-10-2-4-21-8-12(10)14-6-11-7-16(23-9-13(11)17(20)24-14)25-19(27)28-15-3-5-22-18(15)26/h2,4,6-9,15H,3,5H2,1H3,(H2,20,24)(H,22,26)(H,23,25,27)/t15-/m1/s1
InChIKeyNNCYNNGMAPUGDN-OAHLLOKOSA-N
XLogP2.02
TPSA132.12 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(3R)-2-oxopyrrolidin-3-yl] N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamate?
The IUPAC name of [(3R)-2-oxopyrrolidin-3-yl] N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamate (CID 135344703) is [(3R)-2-oxopyrrolidin-3-yl] N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamate.
What is the SMILES notation for [(3R)-2-oxopyrrolidin-3-yl] N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamate?
The canonical SMILES for [(3R)-2-oxopyrrolidin-3-yl] N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamate is Cc1ccncc1-c1cc2cc(NC(=O)O[C@@H]3CCNC3=O)ncc2c(N)n1.
What is the InChIKey of [(3R)-2-oxopyrrolidin-3-yl] N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamate?
The InChIKey is NNCYNNGMAPUGDN-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H18N6O3/c1-10-2-4-21-8-12(10)14-6-11-7-16(23-9-13(11)17(20)24-14)25-19(27)28-15-3-5-22-18(15)26/h2,4,6-9,15H,3,5H2,1H3,(H2,20,24)(H,22,26)(H,23,25,27)/t15-/m1/s1.
What are the key properties of [(3R)-2-oxopyrrolidin-3-yl] N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamate?
[(3R)-2-oxopyrrolidin-3-yl] N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamate has a molecular weight of 378.39 g/mol, XLogP of 2.02, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2-oxopyrrolidin-3-yl] N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamate is sourced from PubChem (CID 135344703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).