[(1R,2R)-2-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamoyl]cyclopropyl]methyl acetate

C21H21N5O3 — CID 140921107

IUPAC[(1R,2R)-2-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamoyl]cyclopropyl]methyl acetate
SMILESCC(=O)OC[C@@H]1C[C@H]1C(=O)Nc1cc2cc(-c3cnccc3C)nc(N)c2cn1
InChIInChI=1S/C21H21N5O3/c1-11-3-4-23-8-16(11)18-6-13-7-19(24-9-17(13)20(22)25-18)26-21(28)15-5-14(15)10-29-12(2)27/h3-4,6-9,14-15H,5,10H2,1-2H3,(H2,22,25)(H,24,26,28)/t14-,15+/m0/s1
InChIKeyAMZCXGMTQZVBJE-LSDHHAIUSA-N
MW391.43 g/mol
LogP2.72
Rot. Bonds5

About [(1R,2R)-2-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamoyl]cyclopropyl]methyl acetate

[(1R,2R)-2-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamoyl]cyclopropyl]methyl acetate (PubChem CID 140921107) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is [(1R,2R)-2-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamoyl]cyclopropyl]methyl acetate.

Molecular Properties

Compound Name[(1R,2R)-2-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamoyl]cyclopropyl]methyl acetate
PubChem CID140921107
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name[(1R,2R)-2-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamoyl]cyclopropyl]methyl acetate
SMILESCC(=O)OC[C@@H]1C[C@H]1C(=O)Nc1cc2cc(-c3cnccc3C)nc(N)c2cn1
InChIInChI=1S/C21H21N5O3/c1-11-3-4-23-8-16(11)18-6-13-7-19(24-9-17(13)20(22)25-18)26-21(28)15-5-14(15)10-29-12(2)27/h3-4,6-9,14-15H,5,10H2,1-2H3,(H2,22,25)(H,24,26,28)/t14-,15+/m0/s1
InChIKeyAMZCXGMTQZVBJE-LSDHHAIUSA-N
XLogP2.72
TPSA120.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(1R,2R)-2-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamoyl]cyclopropyl]methyl acetate with MolForge

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Related Compounds

cis-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-formylcyclopropane-1-carboxamide
CID 139469052
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(oxan-4-yl)cyclopropane-1-carboxamide
CID 135345062
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide
CID 135344663
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide
CID 135345211
[(3R)-2-oxopyrrolidin-3-yl] N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamate
CID 135344703
(2R,3R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-6-oxo-7-azaspiro[2.6]nonane-2-carboxamide
CID 139468767
N-[8-amino-6-(4-methyl-6-phenyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide
CID 135344747
trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 158709120
1-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-[(2S)-2-hydroxypropyl]urea
CID 135349081
trans-(1R,2S)-N-[8-amino-7-fluoro-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide
CID 135342878
trans-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[1-(oxan-2-yl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 139468679
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]formamide;cyclopropane
CID 142447667

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamoyl]cyclopropyl]methyl acetate?
The IUPAC name of [(1R,2R)-2-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamoyl]cyclopropyl]methyl acetate (CID 140921107) is [(1R,2R)-2-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamoyl]cyclopropyl]methyl acetate.
What is the SMILES notation for [(1R,2R)-2-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamoyl]cyclopropyl]methyl acetate?
The canonical SMILES for [(1R,2R)-2-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamoyl]cyclopropyl]methyl acetate is CC(=O)OC[C@@H]1C[C@H]1C(=O)Nc1cc2cc(-c3cnccc3C)nc(N)c2cn1.
What is the InChIKey of [(1R,2R)-2-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamoyl]cyclopropyl]methyl acetate?
The InChIKey is AMZCXGMTQZVBJE-LSDHHAIUSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-11-3-4-23-8-16(11)18-6-13-7-19(24-9-17(13)20(22)25-18)26-21(28)15-5-14(15)10-29-12(2)27/h3-4,6-9,14-15H,5,10H2,1-2H3,(H2,22,25)(H,24,26,28)/t14-,15+/m0/s1.
What are the key properties of [(1R,2R)-2-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamoyl]cyclopropyl]methyl acetate?
[(1R,2R)-2-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamoyl]cyclopropyl]methyl acetate has a molecular weight of 391.43 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamoyl]cyclopropyl]methyl acetate is sourced from PubChem (CID 140921107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).